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Conograph/trunk/sample/sample3(TimeOfFlight)/sample3_pks.histogramIgor Conograph/trunk/sample/sample3(TimeOfFlight)/output/sample1.index.xml
Conograph/trunk/sample/sample3(TimeOfFlight)/output Conograph/trunk/sample/sample3(TimeOfFlight)/cntl.inp.xml Conograph/trunk/sample/sample3(TimeOfFlight)/sample3.inp.xml Conograph/trunk/sample/sample3(TimeOfFlight) Conograph/trunk/sample/sample5(Synchrotron)/sample5.inp.xml Conograph/trunk/sample/sample5(Synchrotron)/output Conograph/trunk/sample/sample5(Synchrotron)/sample5_pks.histogramIgor Conograph/trunk/sample/sample5(Synchrotron)/cntl.inp.xml Conograph/trunk/sample/sample5(Synchrotron) Conograph/trunk/sample/sample6(Synchrotron)/sample6.inp.xml Conograph/trunk/sample/sample6(Synchrotron)/output Conograph/trunk/sample/sample6(Synchrotron)/sample6_pks.histogramIgor Conograph/trunk/sample/sample6(Synchrotron)/cntl.inp.xml Conograph/trunk/sample/sample6(Synchrotron) Conograph/trunk/sample/sample7(TimeOfFlight)/sample7.inp.xml Conograph/trunk/sample/sample7(TimeOfFlight)/output/sample7.index.xml Conograph/trunk/sample/sample7(TimeOfFlight)/output Conograph/trunk/sample/sample7(TimeOfFlight)/sample7_pks.histogramIgor Conograph/trunk/sample/sample7(TimeOfFlight)/cntl.inp.xml Conograph/trunk/sample/sample7(TimeOfFlight) Conograph/trunk/sample/sample4(CharacteristicXrays)/sample4.inp.xml Conograph/trunk/sample/sample4(CharacteristicXrays)/sample4_pks.histogramIgor Conograph/trunk/sample/sample4(CharacteristicXrays)/output Conograph/trunk/sample/sample4(CharacteristicXrays)/cntl.inp.xml Conograph/trunk/sample/sample4(CharacteristicXrays) Conograph/trunk/sample/sample2(Reactor)/sample2.inp.xml Conograph/trunk/sample/sample2(Reactor)/sample2_pks.histogramIgor Conograph/trunk/sample/sample2(Reactor)/output Conograph/trunk/sample/sample2(Reactor)/cntl.inp.xml Conograph/trunk/sample/sample2(Reactor) Conograph/trunk/sample/sample1(Synchrotron)/sample1_pks.histogramIgor Conograph/trunk/sample/sample1(Synchrotron)/output Conograph/trunk/sample/sample1(Synchrotron)/cntl.inp.xml Conograph/trunk/sample/sample1(Synchrotron)/sample1.inp.xml Conograph/trunk/sample/sample1(Synchrotron)| @@ -1,12 +0,0 @@ | ||
| 1 | -<ZCodeParameters> | |
| 2 | - <ConographInputFile> | |
| 3 | - <!-- Control parameters for calculation.--> | |
| 4 | - <ControlParamFile> sample3.inp.xml </ControlParamFile> | |
| 5 | - | |
| 6 | - <!-- Peak-position data.--> | |
| 7 | - <PeakDataFile> sample3_pks.histogramIgor </PeakDataFile> | |
| 8 | - | |
| 9 | - <!-- Output file --> | |
| 10 | - <OutputFile> output/sample3.index.xml </OutputFile> | |
| 11 | - </ConographInputFile> | |
| 12 | -</ZCodeParameters> |
| @@ -1,123 +0,0 @@ | ||
| 1 | -<ZCodeParameters> | |
| 2 | - <ConographParameters> | |
| 3 | - <!-- Parameters for the diffractometer.--> | |
| 4 | - <IsAngleDispersion> | |
| 5 | - <!-- 0:time-of-flight, 1:angle dispersion--> | |
| 6 | - 0 | |
| 7 | - </IsAngleDispersion> | |
| 8 | - | |
| 9 | - <ConversionParameters> | |
| 10 | - <!-- Conversion parameters for time-of-flight : a polynomial of any degree --> | |
| 11 | - 9.03976 9965.02 5.88424 | |
| 12 | - </ConversionParameters> | |
| 13 | - | |
| 14 | - <ZeroPointShiftParameter> | |
| 15 | - <!-- zero point shift parameter for angle dispersion : Z(deg.). --> | |
| 16 | - 0.0 | |
| 17 | - </ZeroPointShiftParameter> | |
| 18 | - <WaveLength> | |
| 19 | - <!-- Wave length(angstrom) for angle dispersion. --> | |
| 20 | - 1.81958 | |
| 21 | - </WaveLength> | |
| 22 | - | |
| 23 | - <!-- Parameters for search.--> | |
| 24 | - <SearchLevel> | |
| 25 | - <!-- 0:quick search (suitable for unit cells with high symmetries.), | |
| 26 | - 1:regular search (suitable for unit cells with low symmetries.).--> | |
| 27 | - 0 | |
| 28 | - </SearchLevel> | |
| 29 | - | |
| 30 | - <MaxNumberOfPeaks> | |
| 31 | - <!-- Number of peaks used for calculation.--> | |
| 32 | - AUTO | |
| 33 | - </MaxNumberOfPeaks> | |
| 34 | - | |
| 35 | - <CriticalValueForLinearSum> | |
| 36 | - <!-- The criterion c to judge if a linear sum of Q equals zero. ( abs(\sigma_i Q_i) <= c * Err<\sigma_i Q_i> ) --> | |
| 37 | - 1.0 | |
| 38 | - </CriticalValueForLinearSum> | |
| 39 | - | |
| 40 | - <MinPrimitiveUnitCellVolume> | |
| 41 | - <!-- Lower threshold for the volume of primitive unit-cell (A^3) --> | |
| 42 | - AUTO | |
| 43 | - </MinPrimitiveUnitCellVolume> | |
| 44 | - | |
| 45 | - <MaxPrimitiveUnitCellVolume> | |
| 46 | - <!-- Upper threshold for the volume of primitive unit-cell (A^3) --> | |
| 47 | - AUTO | |
| 48 | - </MaxPrimitiveUnitCellVolume> | |
| 49 | - | |
| 50 | - <MaxNumberOfTwoDimTopographs> | |
| 51 | - <!-- Upper threshold for the number of quadruples (q1,q2,q3,q4) taken from selected topographs.--> | |
| 52 | - AUTO | |
| 53 | - </MaxNumberOfTwoDimTopographs> | |
| 54 | - | |
| 55 | - <MaxNumberOfLatticeCandidates> | |
| 56 | - <!-- Upper threshold for the number of (triclinic) solutions. --> | |
| 57 | - AUTO | |
| 58 | - </MaxNumberOfLatticeCandidates> | |
| 59 | - | |
| 60 | - <!-- Bravais lattice determination --> | |
| 61 | - <!--Output unit cells belonging to the Bravai type? (0:No, 1:Yes)--> | |
| 62 | - <OutputTriclinic> 1 </OutputTriclinic> | |
| 63 | - <OutputMonoclinicP> 1 </OutputMonoclinicP> | |
| 64 | - <OutputMonoclinicB> 1 </OutputMonoclinicB> | |
| 65 | - <OutputOrthorhombicP> 1 </OutputOrthorhombicP> | |
| 66 | - <OutputOrthorhombicC> 1 </OutputOrthorhombicC> | |
| 67 | - <OutputOrthorhombicI> 1 </OutputOrthorhombicI> | |
| 68 | - <OutputOrthorhombicF> 1 </OutputOrthorhombicF> | |
| 69 | - <OutputTetragonalP> 1 </OutputTetragonalP> | |
| 70 | - <OutputTetragonalI> 1 </OutputTetragonalI> | |
| 71 | - <OutputRhombohedral> 1 </OutputRhombohedral> | |
| 72 | - <OutputHexagonal> 1 </OutputHexagonal> | |
| 73 | - <OutputCubicP> 1 </OutputCubicP> | |
| 74 | - <OutputCubicI> 1 </OutputCubicI> | |
| 75 | - <OutputCubicF> 1 </OutputCubicF> | |
| 76 | - | |
| 77 | - <!-- Parameters for output.--> | |
| 78 | - <Resolution> | |
| 79 | - <!-- Relative resolution of d^* = 1/d-values. | |
| 80 | - This value is used for detection of almost identical unit cells.--> | |
| 81 | - 0.03 | |
| 82 | - </Resolution> | |
| 83 | - | |
| 84 | - <MaxNumberOfPeaksForFOM> | |
| 85 | - <!-- Number n of peaks used to calculate figures of Merit.--> | |
| 86 | - 20 | |
| 87 | - </MaxNumberOfPeaksForFOM> | |
| 88 | - | |
| 89 | - <MinFOM> | |
| 90 | - <!-- Any indexing solution is output if its value of de Wolff figure of merit M_n is greater than the following value.--> | |
| 91 | - 3.0 | |
| 92 | - </MinFOM> | |
| 93 | - | |
| 94 | - <!-- Lower and upper thresholds for the number of distinct computed lines hkl within the range of the first-to-n'th observed lines.--> | |
| 95 | - <MinNumberOfMillerIndicesInRange> AUTO </MinNumberOfMillerIndicesInRange> | |
| 96 | - <MaxNumberOfMillerIndicesInRange> AUTO </MaxNumberOfMillerIndicesInRange> | |
| 97 | - | |
| 98 | - <!-- Lower and upper thresholds for the unit cell parameters a, b, c (angstrom).--> | |
| 99 | - <MinUnitCellEdgeABC> 0.0 </MinUnitCellEdgeABC> | |
| 100 | - <MaxUnitCellEdgeABC> 1000.0 </MaxUnitCellEdgeABC> | |
| 101 | - | |
| 102 | - <!-- Configuration parameters.--> | |
| 103 | - <NumberOfThreadsToUse> | |
| 104 | - MAX | |
| 105 | - </NumberOfThreadsToUse> | |
| 106 | - <AxisForRhombohedralSymmetry> <!-- "Rhombohedral" or "Hexagonal" --> | |
| 107 | - Hexagonal | |
| 108 | - </AxisForRhombohedralSymmetry> | |
| 109 | - <AxisForMonoclinicSymmetry> <!-- "A", "B", or "C" --> | |
| 110 | - B | |
| 111 | - </AxisForMonoclinicSymmetry> | |
| 112 | - <ThresholdOnNormM> <!-- Solutions having M^{Wu} less than this value are removed before Bravais lattice determination --> | |
| 113 | - 1.9 | |
| 114 | - </ThresholdOnNormM> | |
| 115 | - <ThresholdOnRevM> <!-- Solutions having M^{Rev} less than this value are removed before Bravais lattice determination --> | |
| 116 | - 1.0 | |
| 117 | - </ThresholdOnRevM> | |
| 118 | - <MinDistanceBetweenLatticePoints> | |
| 119 | - 2.0 | |
| 120 | - </MinDistanceBetweenLatticePoints> | |
| 121 | - </ConographParameters> | |
| 122 | -</ZCodeParameters> | |
| 123 | - | |
| \ No newline at end of file |
| @@ -1,2816 +0,0 @@ | ||
| 1 | -<?xml version="1.0" encoding="UTF-8" ?> | |
| 2 | -<ZCodeParameters> | |
| 3 | - <ConographOutput> | |
| 4 | - <!-- Information on the best M solution for each Bravais type. | |
| 5 | - TNB : total number of solutions of the Bravais types, | |
| 6 | - M : de Wolff figure of merit, | |
| 7 | - Mwu : Wu figure of merit, | |
| 8 | - Mrev : reversed de Wolff figure of merit, | |
| 9 | - Msym : symmetric de Wolff figure of merit, | |
| 10 | - NN : number of lattices in the neighborhood, | |
| 11 | - VOL : unit-cell volume. | |
| 12 | - Bravais Lattice : TNB, M, Mwu, Mrev, Msym, NN, VOL | |
| 13 | - Cubic(F) : 1 1.4533e+001 1.0615e+001 6.0091e+000 8.7330e+001 31 1.6051e+002 | |
| 14 | - Cubic(I) : 0 | |
| 15 | - Cubic(P) : 0 | |
| 16 | - Hexagonal : 0 | |
| 17 | - Rhombohedral : 2 1.7452e+001 2.1205e+001 4.7781e+000 8.3388e+001 166 1.0767e+002 | |
| 18 | - Tetragonal(I) : 2 6.9669e+000 1.0770e+001 5.7434e+000 4.0014e+001 177 8.0258e+001 | |
| 19 | - Tetragonal(P) : 1 3.1744e+000 2.7407e+000 2.3321e+000 7.4028e+000 12 2.9783e+001 | |
| 20 | - Orthorhombic(F) : 5 5.4855e+000 4.9841e+000 2.1003e+000 1.1521e+001 29 1.7683e+002 | |
| 21 | - Orthorhombic(I) : 6 1.6015e+001 2.1286e+001 4.0748e+000 6.5257e+001 5 4.6330e+001 | |
| 22 | - Orthorhombic(C) : 14 2.0374e+001 1.8293e+001 2.5542e+000 5.2037e+001 28 4.6333e+001 | |
| 23 | - Orthorhombic(P) : 0 | |
| 24 | - Monoclinic(B) : 29 1.0474e+002 1.0540e+002 2.0447e+000 2.1415e+002 130 4.5852e+001 | |
| 25 | - Monoclinic(P) : 8 1.2713e+001 1.9056e+001 2.7121e+000 3.4479e+001 15 2.3168e+001 | |
| 26 | - Triclinic : 4 5.7710e+000 6.6050e+000 2.1599e+000 1.2465e+001 11 1.3134e+001 | |
| 27 | - --> | |
| 28 | - | |
| 29 | - <!-- Labels of the solution with the best figure of merit. | |
| 30 | - Cubic(F), Best Score : Lattice constants, label. | |
| 31 | - M = 1.4533e+001 : 5.4346e+000 5.4346e+000 5.4346e+000 9.0000e+001 9.0000e+001 9.0000e+001 14015 | |
| 32 | - Mwu = 1.0616e+001 : 5.4346e+000 5.4346e+000 5.4346e+000 9.0000e+001 9.0000e+001 9.0000e+001 14013 | |
| 33 | - Mrev = 6.0493e+000 : 5.4346e+000 5.4346e+000 5.4346e+000 9.0000e+001 9.0000e+001 9.0000e+001 14013 | |
| 34 | - Msym = 8.7330e+001 : 5.4346e+000 5.4346e+000 5.4346e+000 9.0000e+001 9.0000e+001 9.0000e+001 14015 | |
| 35 | - NN = 31 : 5.4346e+000 5.4346e+000 5.4346e+000 9.0000e+001 9.0000e+001 9.0000e+001 14015 | |
| 36 | - | |
| 37 | - Cubic(I), Best Score : Lattice constants, label. | |
| 38 | - M = - - : - - | |
| 39 | - Mwu = - - : - - | |
| 40 | - Mrev = - - : - - | |
| 41 | - Msym = - - : - - | |
| 42 | - NN = - - : - - | |
| 43 | - | |
| 44 | - Cubic(P), Best Score : Lattice constants, label. | |
| 45 | - M = - - : - - | |
| 46 | - Mwu = - - : - - | |
| 47 | - Mrev = - - : - - | |
| 48 | - Msym = - - : - - | |
| 49 | - NN = - - : - - | |
| 50 | - | |
| 51 | - Hexagonal, Best Score : Lattice constants, label. | |
| 52 | - M = - - : - - | |
| 53 | - Mwu = - - : - - | |
| 54 | - Mrev = - - : - - | |
| 55 | - Msym = - - : - - | |
| 56 | - NN = - - : - - | |
| 57 | - | |
| 58 | - Rhombohedral, Best Score : Lattice constants, label. | |
| 59 | - M = 1.7452e+001 : 5.4345e+000 5.4345e+000 4.2097e+000 9.0000e+001 9.0000e+001 1.2000e+002 100899 | |
| 60 | - Mwu = 2.1205e+001 : 5.4345e+000 5.4345e+000 4.2097e+000 9.0000e+001 9.0000e+001 1.2000e+002 100899 | |
| 61 | - Mrev = 7.4222e+000 : 3.8432e+000 3.8432e+000 9.4129e+000 9.0000e+001 9.0000e+001 1.2000e+002 100721 | |
| 62 | - Msym = 8.3388e+001 : 5.4345e+000 5.4345e+000 4.2097e+000 9.0000e+001 9.0000e+001 1.2000e+002 100899 | |
| 63 | - NN = 357 : 3.8430e+000 3.8430e+000 9.4129e+000 9.0000e+001 9.0000e+001 1.2000e+002 100479 | |
| 64 | - | |
| 65 | - Tetragonal(I), Best Score : Lattice constants, label. | |
| 66 | - M = 6.9669e+000 : 3.8427e+000 3.8427e+000 5.4351e+000 9.0000e+001 9.0000e+001 9.0000e+001 09074 | |
| 67 | - Mwu = 1.0771e+001 : 3.8427e+000 3.8427e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 09061 | |
| 68 | - Mrev = 5.8237e+000 : 3.8427e+000 3.8427e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 09061 | |
| 69 | - Msym = 4.0044e+001 : 3.8427e+000 3.8427e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 09061 | |
| 70 | - NN = 177 : 3.8427e+000 3.8427e+000 5.4351e+000 9.0000e+001 9.0000e+001 9.0000e+001 09074 | |
| 71 | - | |
| 72 | - Tetragonal(P), Best Score : Lattice constants, label. | |
| 73 | - M = 3.1744e+000 : 3.1385e+000 3.1385e+000 3.0237e+000 9.0000e+001 9.0000e+001 9.0000e+001 0803 | |
| 74 | - Mwu = 2.7407e+000 : 3.1385e+000 3.1385e+000 3.0237e+000 9.0000e+001 9.0000e+001 9.0000e+001 0803 | |
| 75 | - Mrev = 2.3321e+000 : 3.1385e+000 3.1385e+000 3.0237e+000 9.0000e+001 9.0000e+001 9.0000e+001 0803 | |
| 76 | - Msym = 7.4028e+000 : 3.1385e+000 3.1385e+000 3.0237e+000 9.0000e+001 9.0000e+001 9.0000e+001 0803 | |
| 77 | - NN = 12 : 3.1385e+000 3.1385e+000 3.0237e+000 9.0000e+001 9.0000e+001 9.0000e+001 0803 | |
| 78 | - | |
| 79 | - Orthorhombic(F), Best Score : Lattice constants, label. | |
| 80 | - M = 5.4855e+000 : 4.7054e+000 5.4269e+000 6.9250e+000 9.0000e+001 9.0000e+001 9.0000e+001 070135 | |
| 81 | - Mwu = 1.0808e+001 : 5.4343e+000 5.4347e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 070241 | |
| 82 | - Mrev = 5.6318e+000 : 5.4343e+000 5.4346e+000 5.4354e+000 9.0000e+001 9.0000e+001 9.0000e+001 070242 | |
| 83 | - Msym = 2.3666e+001 : 5.4343e+000 5.4347e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 070241 | |
| 84 | - NN = 29 : 4.7054e+000 5.4269e+000 6.9250e+000 9.0000e+001 9.0000e+001 9.0000e+001 070135 | |
| 85 | - | |
| 86 | - Orthorhombic(I), Best Score : Lattice constants, label. | |
| 87 | - M = 1.6015e+001 : 2.2184e+000 3.8428e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 060621 | |
| 88 | - Mwu = 2.1286e+001 : 2.2184e+000 3.8428e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 060621 | |
| 89 | - Mrev = 6.7717e+000 : 3.8425e+000 3.8438e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 060194 | |
| 90 | - Msym = 6.5257e+001 : 2.2184e+000 3.8428e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 060621 | |
| 91 | - NN = 186 : 3.8427e+000 3.8428e+000 5.4350e+000 9.0000e+001 9.0000e+001 9.0000e+001 060199 | |
| 92 | - | |
| 93 | - Orthorhombic(C), Best Score : Lattice constants, label. | |
| 94 | - M = 2.0374e+001 : 3.8427e+000 5.4348e+000 2.2185e+000 9.0000e+001 9.0000e+001 9.0000e+001 050725 | |
| 95 | - Mwu = 1.8338e+001 : 3.8428e+000 5.4347e+000 2.2185e+000 9.0000e+001 9.0000e+001 9.0000e+001 050723 | |
| 96 | - Mrev = 7.0942e+000 : 3.8427e+000 5.4348e+000 1.9215e+000 9.0000e+001 9.0000e+001 9.0000e+001 050793 | |
| 97 | - Msym = 5.3108e+001 : 3.8427e+000 5.4348e+000 1.9215e+000 9.0000e+001 9.0000e+001 9.0000e+001 050793 | |
| 98 | - NN = 219 : 3.8453e+000 5.4346e+000 3.0102e+000 9.0000e+001 9.0000e+001 9.0000e+001 050496 | |
| 99 | - | |
| 100 | - Orthorhombic(P), Best Score : Lattice constants, label. | |
| 101 | - M = - - : - - | |
| 102 | - Mwu = - - : - - | |
| 103 | - Mrev = - - : - - | |
| 104 | - Msym = - - : - - | |
| 105 | - NN = - - : - - | |
| 106 | - | |
| 107 | - Monoclinic(B), Best Score : Lattice constants, label. | |
| 108 | - M = 1.0474e+002 : 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 0306013 | |
| 109 | - Mwu = 1.0540e+002 : 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 0306013 | |
| 110 | - Mrev = 4.6967e+000 : 3.9881e+000 5.4347e+000 2.1318e+000 9.0000e+001 1.0551e+002 9.0000e+001 0306116 | |
| 111 | - Msym = 2.1415e+002 : 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 0306013 | |
| 112 | - NN = 130 : 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 0306013 | |
| 113 | - | |
| 114 | - Monoclinic(P), Best Score : Lattice constants, label. | |
| 115 | - M = 1.2713e+001 : 3.3280e+000 2.2186e+000 3.3282e+000 9.0000e+001 1.0947e+002 9.0000e+001 020724 | |
| 116 | - Mwu = 1.9056e+001 : 3.3280e+000 2.2186e+000 3.3282e+000 9.0000e+001 1.0947e+002 9.0000e+001 020724 | |
| 117 | - Mrev = 7.5304e+000 : 3.3278e+000 1.9218e+000 3.3283e+000 9.0000e+001 1.0948e+002 9.0000e+001 020807 | |
| 118 | - Msym = 3.4479e+001 : 3.3280e+000 2.2186e+000 3.3282e+000 9.0000e+001 1.0947e+002 9.0000e+001 020724 | |
| 119 | - NN = 40 : 2.1059e+000 3.1384e+000 3.1944e+000 9.0000e+001 1.0285e+002 9.0000e+001 020821 | |
| 120 | - | |
| 121 | - Triclinic, Best Score : Lattice constants, label. | |
| 122 | - M = 5.7710e+000 : 2.0742e+000 2.0977e+000 3.2960e+000 1.0682e+002 9.1051e+001 1.0582e+002 0102261 | |
| 123 | - Mwu = 6.6050e+000 : 2.0742e+000 2.0977e+000 3.2960e+000 1.0682e+002 9.1051e+001 1.0582e+002 0102261 | |
| 124 | - Mrev = 2.2306e+000 : 2.1256e+000 2.3790e+000 2.8183e+000 9.0402e+001 1.0425e+002 1.1037e+002 0102295 | |
| 125 | - Msym = 1.2465e+001 : 2.0742e+000 2.0977e+000 3.2960e+000 1.0682e+002 9.1051e+001 1.0582e+002 0102261 | |
| 126 | - NN = 13 : 2.0283e+000 2.2928e+000 3.1927e+000 8.0159e+001 8.9475e+001 7.1642e+001 0102216 | |
| 127 | - | |
| 128 | - --> | |
| 129 | - | |
| 130 | - <!-- Information on the selected candidates.--> | |
| 131 | - <SelectedLatticeCandidate number="0306013"> | |
| 132 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 133 | - | |
| 134 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 135 | - <ReducedLatticeParameters> 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 136 | - <OptimizedLatticeParameters> 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 137 | - | |
| 138 | - <VolumeOfUnitCell> 4.5852e+001 </VolumeOfUnitCell> | |
| 139 | - <FigureOfMeritWolff name="M20"> 1.0474e+002 </FigureOfMeritWolff> | |
| 140 | - <FigureOfMeritWu name="Mwu20"> 1.0540e+002 </FigureOfMeritWu> | |
| 141 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0447e+000 </ReversedFigureOfMeritWolff> | |
| 142 | - <SymmetricFigureOfMeritWolff name="Msym20"> 2.1415e+002 </SymmetricFigureOfMeritWolff> | |
| 143 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 144 | - <NumberOfMillerIndicesInRange> 1.0900e+002 </NumberOfMillerIndicesInRange> | |
| 145 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 146 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 147 | - | |
| 148 | - <NumberOfLatticesInNeighborhood> 130 </NumberOfLatticesInNeighborhood> | |
| 149 | - | |
| 150 | - <EquivalentLatticeCandidates> | |
| 151 | - <LatticeCandidate> | |
| 152 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 153 | - <LatticeParameters> 2.1954e+000 3.3567e+000 3.3567e+000 1.0817e+002 9.7353e+001 9.7353e+001 </LatticeParameters> | |
| 154 | - </LatticeCandidate> | |
| 155 | - </EquivalentLatticeCandidates> | |
| 156 | - | |
| 157 | - </SelectedLatticeCandidate> | |
| 158 | - | |
| 159 | - | |
| 160 | - <!-- Candidates for Cubic(F) --> | |
| 161 | - | |
| 162 | - <LatticeCandidate number="14015"> | |
| 163 | - <CrystalSystem> Cubic(F) </CrystalSystem> | |
| 164 | - | |
| 165 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 166 | - <ReducedLatticeParameters> 5.4346e+000 5.4346e+000 5.4346e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 167 | - <OptimizedLatticeParameters> 5.4346e+000 5.4346e+000 5.4346e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 168 | - | |
| 169 | - <VolumeOfUnitCell> 1.6051e+002 </VolumeOfUnitCell> | |
| 170 | - <FigureOfMeritWolff name="M20"> 1.4533e+001 </FigureOfMeritWolff> | |
| 171 | - <FigureOfMeritWu name="Mwu20"> 1.0615e+001 </FigureOfMeritWu> | |
| 172 | - <ReversedFigureOfMeritWolff name="Mrev20"> 6.0091e+000 </ReversedFigureOfMeritWolff> | |
| 173 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.7330e+001 </SymmetricFigureOfMeritWolff> | |
| 174 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 175 | - <NumberOfMillerIndicesInRange> 3.0292e+001 </NumberOfMillerIndicesInRange> | |
| 176 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 177 | - <NumberOfPeaksNecessaryToResolveDominantZone> 3 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 178 | - | |
| 179 | - <NumberOfLatticesInNeighborhood> 31 </NumberOfLatticesInNeighborhood> | |
| 180 | - | |
| 181 | - <EquivalentLatticeCandidates> | |
| 182 | - <LatticeCandidate> | |
| 183 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 184 | - <LatticeParameters> 3.8529e+000 3.8529e+000 9.4377e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 185 | - </LatticeCandidate> | |
| 186 | - <LatticeCandidate> | |
| 187 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 188 | - <LatticeParameters> 3.8529e+000 3.8529e+000 5.4489e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 189 | - </LatticeCandidate> | |
| 190 | - <LatticeCandidate> | |
| 191 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 192 | - <LatticeParameters> 5.4489e+000 5.4489e+000 3.8529e+000 9.0000e+001 1.3500e+002 9.0000e+001 </LatticeParameters> | |
| 193 | - </LatticeCandidate> | |
| 194 | - <LatticeCandidate> | |
| 195 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 196 | - <LatticeParameters> 6.6735e+000 3.8529e+000 3.8529e+000 9.0000e+001 1.2526e+002 9.0000e+001 </LatticeParameters> | |
| 197 | - </LatticeCandidate> | |
| 198 | - <LatticeCandidate> | |
| 199 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 200 | - <LatticeParameters> 3.8529e+000 3.8529e+000 3.8529e+000 6.0000e+001 6.0000e+001 6.0000e+001 </LatticeParameters> | |
| 201 | - </LatticeCandidate> | |
| 202 | - </EquivalentLatticeCandidates> | |
| 203 | - | |
| 204 | - </LatticeCandidate> | |
| 205 | - | |
| 206 | - | |
| 207 | - | |
| 208 | - <!-- Candidates for Cubic(I) --> | |
| 209 | - | |
| 210 | - | |
| 211 | - | |
| 212 | - <!-- Candidates for Cubic(P) --> | |
| 213 | - | |
| 214 | - | |
| 215 | - | |
| 216 | - <!-- Candidates for Hexagonal --> | |
| 217 | - | |
| 218 | - | |
| 219 | - | |
| 220 | - <!-- Candidates for Rhombohedral --> | |
| 221 | - | |
| 222 | - <LatticeCandidate number="100899"> | |
| 223 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 224 | - | |
| 225 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 226 | - <ReducedLatticeParameters axis="Rhombohedral"> 3.4371e+000 3.4371e+000 3.4371e+000 1.0448e+002 1.0448e+002 1.0448e+002 </ReducedLatticeParameters> | |
| 227 | - <ReducedLatticeParameters axis="Hexagonal"> 5.4345e+000 5.4345e+000 4.2097e+000 9.0000e+001 9.0000e+001 1.2000e+002 </ReducedLatticeParameters> | |
| 228 | - | |
| 229 | - <OptimizedLatticeParameters> 5.4345e+000 5.4345e+000 4.2097e+000 9.0000e+001 9.0000e+001 1.2000e+002 </OptimizedLatticeParameters> | |
| 230 | - | |
| 231 | - <VolumeOfUnitCell axis="Hexagonal"> 1.0767e+002 </VolumeOfUnitCell> | |
| 232 | - <FigureOfMeritWolff name="M20"> 1.7452e+001 </FigureOfMeritWolff> | |
| 233 | - <FigureOfMeritWu name="Mwu20"> 2.1205e+001 </FigureOfMeritWu> | |
| 234 | - <ReversedFigureOfMeritWolff name="Mrev20"> 4.7781e+000 </ReversedFigureOfMeritWolff> | |
| 235 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.3388e+001 </SymmetricFigureOfMeritWolff> | |
| 236 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 237 | - <NumberOfMillerIndicesInRange> 6.5667e+001 </NumberOfMillerIndicesInRange> | |
| 238 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 239 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 240 | - | |
| 241 | - <NumberOfLatticesInNeighborhood> 166 </NumberOfLatticesInNeighborhood> | |
| 242 | - | |
| 243 | - <EquivalentLatticeCandidates> | |
| 244 | - <LatticeCandidate> | |
| 245 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 246 | - <LatticeParameters> 6.6693e+000 3.2839e+000 3.3347e+000 9.0000e+001 1.0949e+002 9.0000e+001 </LatticeParameters> | |
| 247 | - </LatticeCandidate> | |
| 248 | - <LatticeCandidate> | |
| 249 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 250 | - <LatticeParameters> 5.4459e+000 4.1164e+000 4.1590e+000 9.0000e+001 1.3090e+002 9.0000e+001 </LatticeParameters> | |
| 251 | - </LatticeCandidate> | |
| 252 | - <LatticeCandidate> | |
| 253 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 254 | - <LatticeParameters> 4.2178e+000 5.4459e+000 3.4441e+000 9.0000e+001 1.1411e+002 9.0000e+001 </LatticeParameters> | |
| 255 | - </LatticeCandidate> | |
| 256 | - <LatticeCandidate> | |
| 257 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 258 | - <LatticeParameters> 4.1164e+000 6.2873e+000 3.4133e+000 9.0000e+001 1.2708e+002 9.0000e+001 </LatticeParameters> | |
| 259 | - </LatticeCandidate> | |
| 260 | - <LatticeCandidate> | |
| 261 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 262 | - <LatticeParameters> 3.4441e+000 3.4441e+000 3.4441e+000 1.0449e+002 1.0449e+002 1.0449e+002 </LatticeParameters> | |
| 263 | - </LatticeCandidate> | |
| 264 | - </EquivalentLatticeCandidates> | |
| 265 | - | |
| 266 | - </LatticeCandidate> | |
| 267 | - | |
| 268 | - <LatticeCandidate number="100479"> | |
| 269 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 270 | - | |
| 271 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 272 | - <ReducedLatticeParameters axis="Rhombohedral"> 3.8429e+000 3.8429e+000 3.8429e+000 6.0003e+001 6.0003e+001 6.0003e+001 </ReducedLatticeParameters> | |
| 273 | - <ReducedLatticeParameters axis="Hexagonal"> 3.8430e+000 3.8430e+000 9.4129e+000 9.0000e+001 9.0000e+001 1.2000e+002 </ReducedLatticeParameters> | |
| 274 | - | |
| 275 | - <OptimizedLatticeParameters> 3.8430e+000 3.8430e+000 9.4129e+000 9.0000e+001 9.0000e+001 1.2000e+002 </OptimizedLatticeParameters> | |
| 276 | - | |
| 277 | - <VolumeOfUnitCell axis="Hexagonal"> 1.2039e+002 </VolumeOfUnitCell> | |
| 278 | - <FigureOfMeritWolff name="M20"> 5.8777e+000 </FigureOfMeritWolff> | |
| 279 | - <FigureOfMeritWu name="Mwu20"> 1.0775e+001 </FigureOfMeritWu> | |
| 280 | - <ReversedFigureOfMeritWolff name="Mrev20"> 7.1506e+000 </ReversedFigureOfMeritWolff> | |
| 281 | - <SymmetricFigureOfMeritWolff name="Msym20"> 4.2029e+001 </SymmetricFigureOfMeritWolff> | |
| 282 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 283 | - <NumberOfMillerIndicesInRange> 7.6167e+001 </NumberOfMillerIndicesInRange> | |
| 284 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 285 | - <NumberOfPeaksNecessaryToResolveDominantZone> 3 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 286 | - | |
| 287 | - <NumberOfLatticesInNeighborhood> 357 </NumberOfLatticesInNeighborhood> | |
| 288 | - | |
| 289 | - <EquivalentLatticeCandidates> | |
| 290 | - <LatticeCandidate> | |
| 291 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 292 | - <LatticeParameters> 3.8443e+000 3.8484e+000 5.4396e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 293 | - </LatticeCandidate> | |
| 294 | - <LatticeCandidate> | |
| 295 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 296 | - <LatticeParameters> 6.6562e+000 3.8484e+000 3.8443e+000 9.0000e+001 1.2519e+002 9.0000e+001 </LatticeParameters> | |
| 297 | - </LatticeCandidate> | |
| 298 | - <LatticeCandidate> | |
| 299 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 300 | - <LatticeParameters> 6.6633e+000 3.8443e+000 3.8484e+000 9.0000e+001 1.2528e+002 9.0000e+001 </LatticeParameters> | |
| 301 | - </LatticeCandidate> | |
| 302 | - <LatticeCandidate> | |
| 303 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 304 | - <LatticeParameters> 5.4396e+000 5.4396e+000 3.8443e+000 9.0000e+001 1.3497e+002 9.0000e+001 </LatticeParameters> | |
| 305 | - </LatticeCandidate> | |
| 306 | - <LatticeCandidate> | |
| 307 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 308 | - <LatticeParameters> 3.8443e+000 3.8443e+000 3.8443e+000 6.0071e+001 6.0071e+001 6.0071e+001 </LatticeParameters> | |
| 309 | - </LatticeCandidate> | |
| 310 | - </EquivalentLatticeCandidates> | |
| 311 | - | |
| 312 | - </LatticeCandidate> | |
| 313 | - | |
| 314 | - | |
| 315 | - | |
| 316 | - <!-- Candidates for Tetragonal(I) --> | |
| 317 | - | |
| 318 | - <LatticeCandidate number="09074"> | |
| 319 | - <CrystalSystem> Tetragonal(I) </CrystalSystem> | |
| 320 | - | |
| 321 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 322 | - <ReducedLatticeParameters> 3.8427e+000 3.8427e+000 5.4351e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 323 | - <OptimizedLatticeParameters> 3.8427e+000 3.8427e+000 5.4351e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 324 | - | |
| 325 | - <VolumeOfUnitCell> 8.0258e+001 </VolumeOfUnitCell> | |
| 326 | - <FigureOfMeritWolff name="M20"> 6.9669e+000 </FigureOfMeritWolff> | |
| 327 | - <FigureOfMeritWu name="Mwu20"> 1.0770e+001 </FigureOfMeritWu> | |
| 328 | - <ReversedFigureOfMeritWolff name="Mrev20"> 5.7434e+000 </ReversedFigureOfMeritWolff> | |
| 329 | - <SymmetricFigureOfMeritWolff name="Msym20"> 4.0014e+001 </SymmetricFigureOfMeritWolff> | |
| 330 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 331 | - <NumberOfMillerIndicesInRange> 6.4375e+001 </NumberOfMillerIndicesInRange> | |
| 332 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 333 | - <NumberOfPeaksNecessaryToResolveDominantZone> 3 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 334 | - | |
| 335 | - <NumberOfLatticesInNeighborhood> 177 </NumberOfLatticesInNeighborhood> | |
| 336 | - | |
| 337 | - <EquivalentLatticeCandidates> | |
| 338 | - <LatticeCandidate> | |
| 339 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 340 | - <LatticeParameters> 5.6803e+000 5.6803e+000 3.6439e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 341 | - </LatticeCandidate> | |
| 342 | - <LatticeCandidate> | |
| 343 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 344 | - <LatticeParameters> 5.6744e+000 5.6744e+000 3.6482e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 345 | - </LatticeCandidate> | |
| 346 | - <LatticeCandidate> | |
| 347 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 348 | - <LatticeParameters> 5.6744e+000 5.6744e+000 3.6450e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 349 | - </LatticeCandidate> | |
| 350 | - <LatticeCandidate> | |
| 351 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 352 | - <LatticeParameters> 3.8434e+000 3.8434e+000 9.4132e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 353 | - </LatticeCandidate> | |
| 354 | - <LatticeCandidate> | |
| 355 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 356 | - <LatticeParameters> 3.8420e+000 3.8420e+000 9.4132e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 357 | - </LatticeCandidate> | |
| 358 | - <LatticeCandidate> | |
| 359 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 360 | - <LatticeParameters> 5.4321e+000 5.4321e+000 5.4399e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 361 | - </LatticeCandidate> | |
| 362 | - <LatticeCandidate> | |
| 363 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 364 | - <LatticeParameters> 3.8438e+000 6.2754e+000 6.2754e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 365 | - </LatticeCandidate> | |
| 366 | - <LatticeCandidate> | |
| 367 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 368 | - <LatticeParameters> 6.6593e+000 3.8411e+000 3.8411e+000 9.0000e+001 1.2523e+002 9.0000e+001 </LatticeParameters> | |
| 369 | - </LatticeCandidate> | |
| 370 | - <LatticeCandidate> | |
| 371 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 372 | - <LatticeParameters> 3.8438e+000 6.2754e+000 3.6776e+000 9.0000e+001 1.2144e+002 9.0000e+001 </LatticeParameters> | |
| 373 | - </LatticeCandidate> | |
| 374 | - <LatticeCandidate> | |
| 375 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 376 | - <LatticeParameters> 6.6545e+000 3.8438e+000 3.8438e+000 9.0000e+001 1.2528e+002 9.0000e+001 </LatticeParameters> | |
| 377 | - </LatticeCandidate> | |
| 378 | - <LatticeCandidate> | |
| 379 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 380 | - <LatticeParameters> 5.4321e+000 5.4321e+000 3.8438e+000 9.0000e+001 1.3496e+002 9.0000e+001 </LatticeParameters> | |
| 381 | - </LatticeCandidate> | |
| 382 | - <LatticeCandidate> | |
| 383 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 384 | - <LatticeParameters> 5.4321e+000 5.4399e+000 3.8411e+000 9.0000e+001 1.3500e+002 9.0000e+001 </LatticeParameters> | |
| 385 | - </LatticeCandidate> | |
| 386 | - <LatticeCandidate> | |
| 387 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 388 | - <LatticeParameters> 3.8411e+000 6.2754e+000 3.6788e+000 9.0000e+001 1.2147e+002 9.0000e+001 </LatticeParameters> | |
| 389 | - </LatticeCandidate> | |
| 390 | - <LatticeCandidate> | |
| 391 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 392 | - <LatticeParameters> 3.8411e+000 3.8411e+000 3.8438e+000 1.1998e+002 1.1998e+002 9.0000e+001 </LatticeParameters> | |
| 393 | - </LatticeCandidate> | |
| 394 | - </EquivalentLatticeCandidates> | |
| 395 | - | |
| 396 | - </LatticeCandidate> | |
| 397 | - | |
| 398 | - <LatticeCandidate number="0901"> | |
| 399 | - <CrystalSystem> Tetragonal(I) </CrystalSystem> | |
| 400 | - | |
| 401 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 402 | - <ReducedLatticeParameters> 5.4550e+000 5.4550e+000 3.8360e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 403 | - <OptimizedLatticeParameters> 5.4550e+000 5.4550e+000 3.8360e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 404 | - | |
| 405 | - <VolumeOfUnitCell> 1.1415e+002 </VolumeOfUnitCell> | |
| 406 | - <FigureOfMeritWolff name="M20"> 3.1436e+000 </FigureOfMeritWolff> | |
| 407 | - <FigureOfMeritWu name="Mwu20"> 3.2649e+000 </FigureOfMeritWu> | |
| 408 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.5947e+000 </ReversedFigureOfMeritWolff> | |
| 409 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.1568e+000 </SymmetricFigureOfMeritWolff> | |
| 410 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 411 | - <NumberOfMillerIndicesInRange> 8.6500e+001 </NumberOfMillerIndicesInRange> | |
| 412 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 413 | - <NumberOfPeaksNecessaryToResolveDominantZone> 3 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 414 | - | |
| 415 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 416 | - | |
| 417 | - <EquivalentLatticeCandidates> | |
| 418 | - <LatticeCandidate> | |
| 419 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 420 | - <LatticeParameters> 5.7073e+000 5.7073e+000 4.9427e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 421 | - </LatticeCandidate> | |
| 422 | - <LatticeCandidate> | |
| 423 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 424 | - <LatticeParameters> 5.9932e+000 5.9932e+000 3.7418e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 425 | - </LatticeCandidate> | |
| 426 | - <LatticeCandidate> | |
| 427 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 428 | - <LatticeParameters> 4.8891e+000 4.8891e+000 9.4341e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 429 | - </LatticeCandidate> | |
| 430 | - <LatticeCandidate> | |
| 431 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 432 | - <LatticeParameters> 4.0759e+000 4.0759e+000 1.1606e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 433 | - </LatticeCandidate> | |
| 434 | - <LatticeCandidate> | |
| 435 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 436 | - <LatticeParameters> 3.8430e+000 7.7372e+000 7.7372e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 437 | - </LatticeCandidate> | |
| 438 | - <LatticeCandidate> | |
| 439 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 440 | - <LatticeParameters> 6.8836e+000 4.1278e+000 4.2341e+000 9.0000e+001 1.1398e+002 9.0000e+001 </LatticeParameters> | |
| 441 | - </LatticeCandidate> | |
| 442 | - <LatticeCandidate> | |
| 443 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 444 | - <LatticeParameters> 3.8430e+000 7.7372e+000 4.3195e+000 9.0000e+001 1.1641e+002 9.0000e+001 </LatticeParameters> | |
| 445 | - </LatticeCandidate> | |
| 446 | - <LatticeCandidate> | |
| 447 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 448 | - <LatticeParameters> 7.7372e+000 3.8430e+000 5.4710e+000 9.0000e+001 1.3500e+002 9.0000e+001 </LatticeParameters> | |
| 449 | - </LatticeCandidate> | |
| 450 | - <LatticeCandidate> | |
| 451 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 452 | - <LatticeParameters> 6.6858e+000 5.4710e+000 3.8430e+000 9.0000e+001 1.2509e+002 9.0000e+001 </LatticeParameters> | |
| 453 | - </LatticeCandidate> | |
| 454 | - <LatticeCandidate> | |
| 455 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 456 | - <LatticeParameters> 4.2830e+000 6.2894e+000 4.0140e+000 9.0000e+001 1.0547e+002 9.0000e+001 </LatticeParameters> | |
| 457 | - </LatticeCandidate> | |
| 458 | - <LatticeCandidate> | |
| 459 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 460 | - <LatticeParameters> 4.1279e+000 7.7372e+000 3.7515e+000 9.0000e+001 1.2304e+002 9.0000e+001 </LatticeParameters> | |
| 461 | - </LatticeCandidate> | |
| 462 | - <LatticeCandidate> | |
| 463 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 464 | - <LatticeParameters> 3.8430e+000 4.3195e+000 4.3195e+000 7.8587e+001 6.3587e+001 6.3587e+001 </LatticeParameters> | |
| 465 | - </LatticeCandidate> | |
| 466 | - </EquivalentLatticeCandidates> | |
| 467 | - | |
| 468 | - </LatticeCandidate> | |
| 469 | - | |
| 470 | - | |
| 471 | - | |
| 472 | - <!-- Candidates for Tetragonal(P) --> | |
| 473 | - | |
| 474 | - <LatticeCandidate number="0803"> | |
| 475 | - <CrystalSystem> Tetragonal(P) </CrystalSystem> | |
| 476 | - | |
| 477 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 478 | - <ReducedLatticeParameters> 3.1385e+000 3.1385e+000 3.0237e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 479 | - <OptimizedLatticeParameters> 3.1385e+000 3.1385e+000 3.0237e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 480 | - | |
| 481 | - <VolumeOfUnitCell> 2.9783e+001 </VolumeOfUnitCell> | |
| 482 | - <FigureOfMeritWolff name="M20"> 3.1744e+000 </FigureOfMeritWolff> | |
| 483 | - <FigureOfMeritWu name="Mwu20"> 2.7407e+000 </FigureOfMeritWu> | |
| 484 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.3321e+000 </ReversedFigureOfMeritWolff> | |
| 485 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.4028e+000 </SymmetricFigureOfMeritWolff> | |
| 486 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 487 | - <NumberOfMillerIndicesInRange> 5.3500e+001 </NumberOfMillerIndicesInRange> | |
| 488 | - <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks> | |
| 489 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 490 | - | |
| 491 | - <NumberOfLatticesInNeighborhood> 12 </NumberOfLatticesInNeighborhood> | |
| 492 | - | |
| 493 | - <EquivalentLatticeCandidates> | |
| 494 | - <LatticeCandidate> | |
| 495 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 496 | - <LatticeParameters> 4.8450e+000 4.8450e+000 2.7588e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 497 | - </LatticeCandidate> | |
| 498 | - <LatticeCandidate> | |
| 499 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 500 | - <LatticeParameters> 4.8450e+000 4.8450e+000 2.2386e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 501 | - </LatticeCandidate> | |
| 502 | - <LatticeCandidate> | |
| 503 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 504 | - <LatticeParameters> 4.3999e+000 4.3999e+000 5.3610e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 505 | - </LatticeCandidate> | |
| 506 | - <LatticeCandidate> | |
| 507 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 508 | - <LatticeParameters> 4.3549e+000 4.3549e+000 4.4229e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 509 | - </LatticeCandidate> | |
| 510 | - <LatticeCandidate> | |
| 511 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 512 | - <LatticeParameters> 2.7798e+000 2.7798e+000 6.0669e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 513 | - </LatticeCandidate> | |
| 514 | - <LatticeCandidate> | |
| 515 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 516 | - <LatticeParameters> 2.5016e+000 4.4229e+000 4.4229e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 517 | - </LatticeCandidate> | |
| 518 | - <LatticeCandidate> | |
| 519 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 520 | - <LatticeParameters> 4.4229e+000 4.4229e+000 3.0335e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 521 | - </LatticeCandidate> | |
| 522 | - <LatticeCandidate> | |
| 523 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 524 | - <LatticeParameters> 5.0814e+000 4.4229e+000 2.5016e+000 9.0000e+001 1.1949e+002 9.0000e+001 </LatticeParameters> | |
| 525 | - </LatticeCandidate> | |
| 526 | - <LatticeCandidate> | |
| 527 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 528 | - <LatticeParameters> 6.2549e+000 2.5016e+000 4.4229e+000 9.0000e+001 1.3500e+002 9.0000e+001 </LatticeParameters> | |
| 529 | - </LatticeCandidate> | |
| 530 | - <LatticeCandidate> | |
| 531 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 532 | - <LatticeParameters> 4.3549e+000 4.3549e+000 3.1275e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 533 | - </LatticeCandidate> | |
| 534 | - <LatticeCandidate> | |
| 535 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 536 | - <LatticeParameters> 5.0033e+000 4.3549e+000 2.5407e+000 9.0000e+001 1.1949e+002 9.0000e+001 </LatticeParameters> | |
| 537 | - </LatticeCandidate> | |
| 538 | - <LatticeCandidate> | |
| 539 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 540 | - <LatticeParameters> 2.7294e+000 6.2549e+000 3.1275e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 541 | - </LatticeCandidate> | |
| 542 | - </EquivalentLatticeCandidates> | |
| 543 | - | |
| 544 | - </LatticeCandidate> | |
| 545 | - | |
| 546 | - | |
| 547 | - | |
| 548 | - <!-- Candidates for Orthorhombic(F) --> | |
| 549 | - | |
| 550 | - <LatticeCandidate number="070135"> | |
| 551 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 552 | - | |
| 553 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 554 | - <ReducedLatticeParameters> 4.7054e+000 5.4269e+000 6.9250e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 555 | - <OptimizedLatticeParameters> 4.7054e+000 5.4269e+000 6.9250e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 556 | - | |
| 557 | - <VolumeOfUnitCell> 1.7683e+002 </VolumeOfUnitCell> | |
| 558 | - <FigureOfMeritWolff name="M20"> 5.4855e+000 </FigureOfMeritWolff> | |
| 559 | - <FigureOfMeritWu name="Mwu20"> 4.9841e+000 </FigureOfMeritWu> | |
| 560 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1003e+000 </ReversedFigureOfMeritWolff> | |
| 561 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.1521e+001 </SymmetricFigureOfMeritWolff> | |
| 562 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 563 | - <NumberOfMillerIndicesInRange> 1.1850e+002 </NumberOfMillerIndicesInRange> | |
| 564 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 565 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 566 | - | |
| 567 | - <NumberOfLatticesInNeighborhood> 29 </NumberOfLatticesInNeighborhood> | |
| 568 | - | |
| 569 | - <EquivalentLatticeCandidates> | |
| 570 | - <LatticeCandidate> | |
| 571 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 572 | - <LatticeParameters> 5.1144e+000 5.1144e+000 4.3771e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 573 | - </LatticeCandidate> | |
| 574 | - <LatticeCandidate> | |
| 575 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 576 | - <LatticeParameters> 3.5620e+000 3.5620e+000 6.9209e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 577 | - </LatticeCandidate> | |
| 578 | - <LatticeCandidate> | |
| 579 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 580 | - <LatticeParameters> 5.4289e+000 4.7201e+000 4.3981e+000 9.0000e+001 1.2811e+002 9.0000e+001 </LatticeParameters> | |
| 581 | - </LatticeCandidate> | |
| 582 | - <LatticeCandidate> | |
| 583 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 584 | - <LatticeParameters> 4.7201e+000 6.9209e+000 3.5970e+000 9.0000e+001 1.3101e+002 9.0000e+001 </LatticeParameters> | |
| 585 | - </LatticeCandidate> | |
| 586 | - <LatticeCandidate> | |
| 587 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 588 | - <LatticeParameters> 4.7201e+000 5.4289e+000 4.1886e+000 9.0000e+001 1.2429e+002 9.0000e+001 </LatticeParameters> | |
| 589 | - </LatticeCandidate> | |
| 590 | - <LatticeCandidate> | |
| 591 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 592 | - <LatticeParameters> 3.5970e+000 3.5970e+000 4.1886e+000 1.1170e+002 1.1170e+002 9.7989e+001 </LatticeParameters> | |
| 593 | - </LatticeCandidate> | |
| 594 | - </EquivalentLatticeCandidates> | |
| 595 | - | |
| 596 | - </LatticeCandidate> | |
| 597 | - | |
| 598 | - <LatticeCandidate number="070499"> | |
| 599 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 600 | - | |
| 601 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 602 | - <ReducedLatticeParameters> 3.8365e+000 5.4300e+000 6.2726e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 603 | - <OptimizedLatticeParameters> 3.8365e+000 5.4300e+000 6.2726e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 604 | - | |
| 605 | - <VolumeOfUnitCell> 1.3067e+002 </VolumeOfUnitCell> | |
| 606 | - <FigureOfMeritWolff name="M20"> 4.3112e+000 </FigureOfMeritWolff> | |
| 607 | - <FigureOfMeritWu name="Mwu20"> 4.5088e+000 </FigureOfMeritWu> | |
| 608 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.4732e+000 </ReversedFigureOfMeritWolff> | |
| 609 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.0663e+001 </SymmetricFigureOfMeritWolff> | |
| 610 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 611 | - <NumberOfMillerIndicesInRange> 9.0000e+001 </NumberOfMillerIndicesInRange> | |
| 612 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 613 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 614 | - | |
| 615 | - <NumberOfLatticesInNeighborhood> 24 </NumberOfLatticesInNeighborhood> | |
| 616 | - | |
| 617 | - <EquivalentLatticeCandidates> | |
| 618 | - <LatticeCandidate> | |
| 619 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 620 | - <LatticeParameters> 5.6946e+000 5.6946e+000 3.3069e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 621 | - </LatticeCandidate> | |
| 622 | - <LatticeCandidate> | |
| 623 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 624 | - <LatticeParameters> 3.5617e+000 3.5617e+000 9.4096e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 625 | - </LatticeCandidate> | |
| 626 | - <LatticeCandidate> | |
| 627 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 628 | - <LatticeParameters> 5.3846e+000 3.8408e+000 4.1336e+000 9.0000e+001 1.3064e+002 9.0000e+001 </LatticeParameters> | |
| 629 | - </LatticeCandidate> | |
| 630 | - <LatticeCandidate> | |
| 631 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 632 | - <LatticeParameters> 3.8408e+000 5.3846e+000 3.6778e+000 9.0000e+001 1.2148e+002 9.0000e+001 </LatticeParameters> | |
| 633 | - </LatticeCandidate> | |
| 634 | - <LatticeCandidate> | |
| 635 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 636 | - <LatticeParameters> 3.8408e+000 6.2731e+000 3.3070e+000 9.0000e+001 1.2550e+002 9.0000e+001 </LatticeParameters> | |
| 637 | - </LatticeCandidate> | |
| 638 | - <LatticeCandidate> | |
| 639 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 640 | - <LatticeParameters> 3.2687e+000 6.2731e+000 2.9254e+000 9.0000e+001 1.0694e+002 9.0000e+001 </LatticeParameters> | |
| 641 | - </LatticeCandidate> | |
| 642 | - <LatticeCandidate> | |
| 643 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 644 | - <LatticeParameters> 3.3070e+000 3.3070e+000 3.6778e+000 1.0765e+002 1.0765e+002 1.0900e+002 </LatticeParameters> | |
| 645 | - </LatticeCandidate> | |
| 646 | - </EquivalentLatticeCandidates> | |
| 647 | - | |
| 648 | - </LatticeCandidate> | |
| 649 | - | |
| 650 | - <LatticeCandidate number="070241"> | |
| 651 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 652 | - | |
| 653 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 654 | - <ReducedLatticeParameters> 5.4343e+000 5.4347e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 655 | - <OptimizedLatticeParameters> 5.4343e+000 5.4347e+000 5.4352e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 656 | - | |
| 657 | - <VolumeOfUnitCell> 1.6052e+002 </VolumeOfUnitCell> | |
| 658 | - <FigureOfMeritWolff name="M20"> 4.2380e+000 </FigureOfMeritWolff> | |
| 659 | - <FigureOfMeritWu name="Mwu20"> 1.0808e+001 </FigureOfMeritWu> | |
| 660 | - <ReversedFigureOfMeritWolff name="Mrev20"> 5.5842e+000 </ReversedFigureOfMeritWolff> | |
| 661 | - <SymmetricFigureOfMeritWolff name="Msym20"> 2.3666e+001 </SymmetricFigureOfMeritWolff> | |
| 662 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 663 | - <NumberOfMillerIndicesInRange> 1.0625e+002 </NumberOfMillerIndicesInRange> | |
| 664 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 665 | - <NumberOfPeaksNecessaryToResolveDominantZone> 3 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 666 | - | |
| 667 | - <NumberOfLatticesInNeighborhood> 28 </NumberOfLatticesInNeighborhood> | |
| 668 | - | |
| 669 | - <EquivalentLatticeCandidates> | |
| 670 | - <LatticeCandidate> | |
| 671 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 672 | - <LatticeParameters> 3.8433e+000 3.8433e+000 9.4147e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 673 | - </LatticeCandidate> | |
| 674 | - <LatticeCandidate> | |
| 675 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 676 | - <LatticeParameters> 3.8434e+000 3.8434e+000 9.4147e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 677 | - </LatticeCandidate> | |
| 678 | - <LatticeCandidate> | |
| 679 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 680 | - <LatticeParameters> 3.8440e+000 3.8440e+000 9.4147e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 681 | - </LatticeCandidate> | |
| 682 | - <LatticeCandidate> | |
| 683 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 684 | - <LatticeParameters> 3.8430e+000 3.8430e+000 5.4372e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 685 | - </LatticeCandidate> | |
| 686 | - <LatticeCandidate> | |
| 687 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 688 | - <LatticeParameters> 3.8444e+000 3.8444e+000 5.4331e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 689 | - </LatticeCandidate> | |
| 690 | - <LatticeCandidate> | |
| 691 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 692 | - <LatticeParameters> 5.4331e+000 5.4365e+000 3.8432e+000 9.0000e+001 1.3498e+002 9.0000e+001 </LatticeParameters> | |
| 693 | - </LatticeCandidate> | |
| 694 | - <LatticeCandidate> | |
| 695 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 696 | - <LatticeParameters> 6.6582e+000 3.8430e+000 3.8430e+000 9.0000e+001 1.2525e+002 9.0000e+001 </LatticeParameters> | |
| 697 | - </LatticeCandidate> | |
| 698 | - <LatticeCandidate> | |
| 699 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 700 | - <LatticeParameters> 5.4331e+000 5.4372e+000 3.8430e+000 9.0000e+001 1.3498e+002 9.0000e+001 </LatticeParameters> | |
| 701 | - </LatticeCandidate> | |
| 702 | - <LatticeCandidate> | |
| 703 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 704 | - <LatticeParameters> 6.6557e+000 3.8444e+000 3.8444e+000 9.0000e+001 1.2528e+002 9.0000e+001 </LatticeParameters> | |
| 705 | - </LatticeCandidate> | |
| 706 | - <LatticeCandidate> | |
| 707 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 708 | - <LatticeParameters> 6.6577e+000 3.8432e+000 3.8432e+000 9.0000e+001 1.2526e+002 9.0000e+001 </LatticeParameters> | |
| 709 | - </LatticeCandidate> | |
| 710 | - <LatticeCandidate> | |
| 711 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 712 | - <LatticeParameters> 5.4365e+000 5.4331e+000 3.8444e+000 9.0000e+001 1.3500e+002 9.0000e+001 </LatticeParameters> | |
| 713 | - </LatticeCandidate> | |
| 714 | - <LatticeCandidate> | |
| 715 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 716 | - <LatticeParameters> 3.8430e+000 3.8430e+000 3.8432e+000 1.1998e+002 1.1998e+002 9.0036e+001 </LatticeParameters> | |
| 717 | - </LatticeCandidate> | |
| 718 | - </EquivalentLatticeCandidates> | |
| 719 | - | |
| 720 | - </LatticeCandidate> | |
| 721 | - | |
| 722 | - <LatticeCandidate number="070550"> | |
| 723 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 724 | - | |
| 725 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 726 | - <ReducedLatticeParameters> 2.3157e+000 6.2771e+000 7.6860e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 727 | - <OptimizedLatticeParameters> 2.3157e+000 6.2771e+000 7.6860e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 728 | - | |
| 729 | - <VolumeOfUnitCell> 1.1172e+002 </VolumeOfUnitCell> | |
| 730 | - <FigureOfMeritWolff name="M20"> 3.8363e+000 </FigureOfMeritWolff> | |
| 731 | - <FigureOfMeritWu name="Mwu20"> 3.2437e+000 </FigureOfMeritWu> | |
| 732 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0360e+000 </ReversedFigureOfMeritWolff> | |
| 733 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.8109e+000 </SymmetricFigureOfMeritWolff> | |
| 734 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 735 | - <NumberOfMillerIndicesInRange> 8.1500e+001 </NumberOfMillerIndicesInRange> | |
| 736 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 737 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 738 | - | |
| 739 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 740 | - | |
| 741 | - <EquivalentLatticeCandidates> | |
| 742 | - <LatticeCandidate> | |
| 743 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 744 | - <LatticeParameters> 2.3240e+000 6.2731e+000 4.0233e+000 9.0000e+001 1.0679e+002 9.0000e+001 </LatticeParameters> | |
| 745 | - </LatticeCandidate> | |
| 746 | - <LatticeCandidate> | |
| 747 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 748 | - <LatticeParameters> 2.3240e+000 7.7037e+000 3.3449e+000 9.0000e+001 1.1033e+002 9.0000e+001 </LatticeParameters> | |
| 749 | - </LatticeCandidate> | |
| 750 | - <LatticeCandidate> | |
| 751 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 752 | - <LatticeParameters> 6.2731e+000 2.3240e+000 4.9674e+000 9.0000e+001 1.2916e+002 9.0000e+001 </LatticeParameters> | |
| 753 | - </LatticeCandidate> | |
| 754 | - <LatticeCandidate> | |
| 755 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 756 | - <LatticeParameters> 2.3240e+000 3.3449e+000 4.0233e+000 8.4241e+001 7.3213e+001 6.9672e+001 </LatticeParameters> | |
| 757 | - </LatticeCandidate> | |
| 758 | - </EquivalentLatticeCandidates> | |
| 759 | - | |
| 760 | - </LatticeCandidate> | |
| 761 | - | |
| 762 | - <LatticeCandidate number="070495"> | |
| 763 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 764 | - | |
| 765 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 766 | - <ReducedLatticeParameters> 2.7174e+000 6.2753e+000 7.6854e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 767 | - <OptimizedLatticeParameters> 2.7174e+000 6.2753e+000 7.6854e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 768 | - | |
| 769 | - <VolumeOfUnitCell> 1.3106e+002 </VolumeOfUnitCell> | |
| 770 | - <FigureOfMeritWolff name="M20"> 3.2180e+000 </FigureOfMeritWolff> | |
| 771 | - <FigureOfMeritWu name="Mwu20"> 3.3268e+000 </FigureOfMeritWu> | |
| 772 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.9395e+000 </ReversedFigureOfMeritWolff> | |
| 773 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.2414e+000 </SymmetricFigureOfMeritWolff> | |
| 774 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 775 | - <NumberOfMillerIndicesInRange> 9.0250e+001 </NumberOfMillerIndicesInRange> | |
| 776 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 777 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 778 | - | |
| 779 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 780 | - | |
| 781 | - <EquivalentLatticeCandidates> | |
| 782 | - <LatticeCandidate> | |
| 783 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 784 | - <LatticeParameters> 6.2731e+000 2.7078e+000 4.9501e+000 9.0000e+001 1.2932e+002 9.0000e+001 </LatticeParameters> | |
| 785 | - </LatticeCandidate> | |
| 786 | - <LatticeCandidate> | |
| 787 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 788 | - <LatticeParameters> 2.7078e+000 7.6590e+000 3.4163e+000 9.0000e+001 1.1335e+002 9.0000e+001 </LatticeParameters> | |
| 789 | - </LatticeCandidate> | |
| 790 | - <LatticeCandidate> | |
| 791 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 792 | - <LatticeParameters> 2.7078e+000 6.2731e+000 4.0618e+000 9.0000e+001 1.0947e+002 9.0000e+001 </LatticeParameters> | |
| 793 | - </LatticeCandidate> | |
| 794 | - <LatticeCandidate> | |
| 795 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 796 | - <LatticeParameters> 2.7078e+000 3.4163e+000 4.0618e+000 8.2409e+001 7.0529e+001 6.6652e+001 </LatticeParameters> | |
| 797 | - </LatticeCandidate> | |
| 798 | - </EquivalentLatticeCandidates> | |
| 799 | - | |
| 800 | - </LatticeCandidate> | |
| 801 | - | |
| 802 | - | |
| 803 | - | |
| 804 | - <!-- Candidates for Orthorhombic(I) --> | |
| 805 | - | |
| 806 | - <LatticeCandidate number="060621"> | |
| 807 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 808 | - | |
| 809 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 810 | - <ReducedLatticeParameters> 2.2184e+000 3.8428e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 811 | - <OptimizedLatticeParameters> 2.2184e+000 3.8428e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 812 | - | |
| 813 | - <VolumeOfUnitCell> 4.6330e+001 </VolumeOfUnitCell> | |
| 814 | - <FigureOfMeritWolff name="M20"> 1.6015e+001 </FigureOfMeritWolff> | |
| 815 | - <FigureOfMeritWu name="Mwu20"> 2.1286e+001 </FigureOfMeritWu> | |
| 816 | - <ReversedFigureOfMeritWolff name="Mrev20"> 4.0748e+000 </ReversedFigureOfMeritWolff> | |
| 817 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.5257e+001 </SymmetricFigureOfMeritWolff> | |
| 818 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 819 | - <NumberOfMillerIndicesInRange> 7.2000e+001 </NumberOfMillerIndicesInRange> | |
| 820 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 821 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 822 | - | |
| 823 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 824 | - | |
| 825 | - <EquivalentLatticeCandidates> | |
| 826 | - <LatticeCandidate> | |
| 827 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 828 | - <LatticeParameters> 4.3962e+000 5.4382e+000 2.1333e+000 9.0000e+001 1.1903e+002 9.0000e+001 </LatticeParameters> | |
| 829 | - </LatticeCandidate> | |
| 830 | - <LatticeCandidate> | |
| 831 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 832 | - <LatticeParameters> 5.8416e+000 3.8439e+000 2.1333e+000 9.0000e+001 1.1142e+002 9.0000e+001 </LatticeParameters> | |
| 833 | - </LatticeCandidate> | |
| 834 | - <LatticeCandidate> | |
| 835 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 836 | - <LatticeParameters> 6.6595e+000 2.1333e+000 3.8439e+000 9.0000e+001 1.2525e+002 9.0000e+001 </LatticeParameters> | |
| 837 | - </LatticeCandidate> | |
| 838 | - <LatticeCandidate> | |
| 839 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 840 | - <LatticeParameters> 2.1333e+000 3.4964e+000 3.4964e+000 1.0210e+002 1.0776e+002 1.0776e+002 </LatticeParameters> | |
| 841 | - </LatticeCandidate> | |
| 842 | - </EquivalentLatticeCandidates> | |
| 843 | - | |
| 844 | - </LatticeCandidate> | |
| 845 | - | |
| 846 | - <LatticeCandidate number="060474"> | |
| 847 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 848 | - | |
| 849 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 850 | - <ReducedLatticeParameters> 3.0150e+000 3.8427e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 851 | - <OptimizedLatticeParameters> 3.0150e+000 3.8427e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 852 | - | |
| 853 | - <VolumeOfUnitCell> 6.2965e+001 </VolumeOfUnitCell> | |
| 854 | - <FigureOfMeritWolff name="M20"> 5.3903e+000 </FigureOfMeritWolff> | |
| 855 | - <FigureOfMeritWu name="Mwu20"> 5.3575e+000 </FigureOfMeritWu> | |
| 856 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.9857e+000 </ReversedFigureOfMeritWolff> | |
| 857 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.0704e+001 </SymmetricFigureOfMeritWolff> | |
| 858 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 859 | - <NumberOfMillerIndicesInRange> 9.0000e+001 </NumberOfMillerIndicesInRange> | |
| 860 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 861 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 862 | - | |
| 863 | - <NumberOfLatticesInNeighborhood> 15 </NumberOfLatticesInNeighborhood> | |
| 864 | - | |
| 865 | - <EquivalentLatticeCandidates> | |
| 866 | - <LatticeCandidate> | |
| 867 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 868 | - <LatticeParameters> 5.4025e+000 5.4025e+000 3.5330e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 869 | - </LatticeCandidate> | |
| 870 | - <LatticeCandidate> | |
| 871 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 872 | - <LatticeParameters> 3.7427e+000 3.7427e+000 8.0204e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 873 | - </LatticeCandidate> | |
| 874 | - <LatticeCandidate> | |
| 875 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 876 | - <LatticeParameters> 3.5924e+000 5.3469e+000 6.2549e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 877 | - </LatticeCandidate> | |
| 878 | - <LatticeCandidate> | |
| 879 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 880 | - <LatticeParameters> 6.2393e+000 3.8254e+000 3.0714e+000 9.0000e+001 1.1949e+002 9.0000e+001 </LatticeParameters> | |
| 881 | - </LatticeCandidate> | |
| 882 | - <LatticeCandidate> | |
| 883 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 884 | - <LatticeParameters> 6.6430e+000 3.0714e+000 3.8254e+000 9.0000e+001 1.2516e+002 9.0000e+001 </LatticeParameters> | |
| 885 | - </LatticeCandidate> | |
| 886 | - <LatticeCandidate> | |
| 887 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 888 | - <LatticeParameters> 4.9058e+000 5.4310e+000 3.0714e+000 9.0000e+001 1.2876e+002 9.0000e+001 </LatticeParameters> | |
| 889 | - </LatticeCandidate> | |
| 890 | - <LatticeCandidate> | |
| 891 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 892 | - <LatticeParameters> 5.5756e+000 3.5924e+000 3.6405e+000 9.0000e+001 1.2079e+002 9.0000e+001 </LatticeParameters> | |
| 893 | - </LatticeCandidate> | |
| 894 | - <LatticeCandidate> | |
| 895 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 896 | - <LatticeParameters> 4.7899e+000 4.7899e+000 3.6207e+000 9.0000e+001 1.3141e+002 9.0000e+001 </LatticeParameters> | |
| 897 | - </LatticeCandidate> | |
| 898 | - <LatticeCandidate> | |
| 899 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 900 | - <LatticeParameters> 3.0714e+000 6.2549e+000 3.4842e+000 9.0000e+001 1.1615e+002 9.0000e+001 </LatticeParameters> | |
| 901 | - </LatticeCandidate> | |
| 902 | - <LatticeCandidate> | |
| 903 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 904 | - <LatticeParameters> 3.0714e+000 3.6593e+000 3.6593e+000 6.3026e+001 6.5187e+001 6.5187e+001 </LatticeParameters> | |
| 905 | - </LatticeCandidate> | |
| 906 | - </EquivalentLatticeCandidates> | |
| 907 | - | |
| 908 | - </LatticeCandidate> | |
| 909 | - | |
| 910 | - <LatticeCandidate number="060533"> | |
| 911 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 912 | - | |
| 913 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 914 | - <ReducedLatticeParameters> 2.6067e+000 3.8459e+000 5.4341e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 915 | - <OptimizedLatticeParameters> 2.6067e+000 3.8459e+000 5.4341e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 916 | - | |
| 917 | - <VolumeOfUnitCell> 5.4477e+001 </VolumeOfUnitCell> | |
| 918 | - <FigureOfMeritWolff name="M20"> 5.2736e+000 </FigureOfMeritWolff> | |
| 919 | - <FigureOfMeritWu name="Mwu20"> 4.5788e+000 </FigureOfMeritWu> | |
| 920 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6620e+000 </ReversedFigureOfMeritWolff> | |
| 921 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.7646e+000 </SymmetricFigureOfMeritWolff> | |
| 922 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 923 | - <NumberOfMillerIndicesInRange> 8.2500e+001 </NumberOfMillerIndicesInRange> | |
| 924 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 925 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 926 | - | |
| 927 | - <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood> | |
| 928 | - | |
| 929 | - <EquivalentLatticeCandidates> | |
| 930 | - <LatticeCandidate> | |
| 931 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 932 | - <LatticeParameters> 5.6871e+000 5.6871e+000 2.5319e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 933 | - </LatticeCandidate> | |
| 934 | - <LatticeCandidate> | |
| 935 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 936 | - <LatticeParameters> 3.6782e+000 3.6782e+000 7.0259e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 937 | - </LatticeCandidate> | |
| 938 | - <LatticeCandidate> | |
| 939 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 940 | - <LatticeParameters> 6.0282e+000 3.8623e+000 2.5946e+000 9.0000e+001 1.1549e+002 9.0000e+001 </LatticeParameters> | |
| 941 | - </LatticeCandidate> | |
| 942 | - <LatticeCandidate> | |
| 943 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 944 | - <LatticeParameters> 6.6727e+000 2.5946e+000 3.8623e+000 9.0000e+001 1.2537e+002 9.0000e+001 </LatticeParameters> | |
| 945 | - </LatticeCandidate> | |
| 946 | - <LatticeCandidate> | |
| 947 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 948 | - <LatticeParameters> 4.6529e+000 5.4413e+000 2.5946e+000 9.0000e+001 1.2389e+002 9.0000e+001 </LatticeParameters> | |
| 949 | - </LatticeCandidate> | |
| 950 | - <LatticeCandidate> | |
| 951 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 952 | - <LatticeParameters> 2.5946e+000 3.5797e+000 3.5797e+000 6.5296e+001 6.8752e+001 6.8752e+001 </LatticeParameters> | |
| 953 | - </LatticeCandidate> | |
| 954 | - </EquivalentLatticeCandidates> | |
| 955 | - | |
| 956 | - </LatticeCandidate> | |
| 957 | - | |
| 958 | - <LatticeCandidate number="060199"> | |
| 959 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 960 | - | |
| 961 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 962 | - <ReducedLatticeParameters> 3.8427e+000 3.8428e+000 5.4350e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 963 | - <OptimizedLatticeParameters> 3.8427e+000 3.8428e+000 5.4350e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 964 | - | |
| 965 | - <VolumeOfUnitCell> 8.0258e+001 </VolumeOfUnitCell> | |
| 966 | - <FigureOfMeritWolff name="M20"> 4.1068e+000 </FigureOfMeritWolff> | |
| 967 | - <FigureOfMeritWu name="Mwu20"> 1.0828e+001 </FigureOfMeritWu> | |
| 968 | - <ReversedFigureOfMeritWolff name="Mrev20"> 6.5211e+000 </ReversedFigureOfMeritWolff> | |
| 969 | - <SymmetricFigureOfMeritWolff name="Msym20"> 2.6781e+001 </SymmetricFigureOfMeritWolff> | |
| 970 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 971 | - <NumberOfMillerIndicesInRange> 1.0975e+002 </NumberOfMillerIndicesInRange> | |
| 972 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 973 | - <NumberOfPeaksNecessaryToResolveDominantZone> 3 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 974 | - | |
| 975 | - <NumberOfLatticesInNeighborhood> 186 </NumberOfLatticesInNeighborhood> | |
| 976 | - | |
| 977 | - <EquivalentLatticeCandidates> | |
| 978 | - <LatticeCandidate> | |
| 979 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 980 | - <LatticeParameters> 3.8425e+000 3.8425e+000 9.4140e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 981 | - </LatticeCandidate> | |
| 982 | - <LatticeCandidate> | |
| 983 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 984 | - <LatticeParameters> 3.8441e+000 3.8441e+000 9.4155e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 985 | - </LatticeCandidate> | |
| 986 | - <LatticeCandidate> | |
| 987 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 988 | - <LatticeParameters> 5.4318e+000 5.4318e+000 5.4432e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 989 | - </LatticeCandidate> | |
| 990 | - <LatticeCandidate> | |
| 991 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 992 | - <LatticeParameters> 6.6616e+000 3.8414e+000 3.8404e+000 9.0000e+001 1.2520e+002 9.0000e+001 </LatticeParameters> | |
| 993 | - </LatticeCandidate> | |
| 994 | - <LatticeCandidate> | |
| 995 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 996 | - <LatticeParameters> 6.6621e+000 3.8404e+000 3.8414e+000 9.0000e+001 1.2521e+002 9.0000e+001 </LatticeParameters> | |
| 997 | - </LatticeCandidate> | |
| 998 | - <LatticeCandidate> | |
| 999 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1000 | - <LatticeParameters> 5.4318e+000 5.4318e+000 3.8449e+000 9.0000e+001 1.3494e+002 9.0000e+001 </LatticeParameters> | |
| 1001 | - </LatticeCandidate> | |
| 1002 | - <LatticeCandidate> | |
| 1003 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1004 | - <LatticeParameters> 6.6544e+000 3.8449e+000 3.8449e+000 9.0000e+001 1.2529e+002 9.0000e+001 </LatticeParameters> | |
| 1005 | - </LatticeCandidate> | |
| 1006 | - <LatticeCandidate> | |
| 1007 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1008 | - <LatticeParameters> 5.4318e+000 5.4432e+000 3.8404e+000 9.0000e+001 1.3499e+002 9.0000e+001 </LatticeParameters> | |
| 1009 | - </LatticeCandidate> | |
| 1010 | - <LatticeCandidate> | |
| 1011 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1012 | - <LatticeParameters> 3.8404e+000 3.8414e+000 3.8449e+000 1.1997e+002 1.1996e+002 9.0000e+001 </LatticeParameters> | |
| 1013 | - </LatticeCandidate> | |
| 1014 | - </EquivalentLatticeCandidates> | |
| 1015 | - | |
| 1016 | - </LatticeCandidate> | |
| 1017 | - | |
| 1018 | - <LatticeCandidate number="060633"> | |
| 1019 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1020 | - | |
| 1021 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1022 | - <ReducedLatticeParameters> 2.0537e+000 3.8428e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1023 | - <OptimizedLatticeParameters> 2.0537e+000 3.8428e+000 5.4347e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1024 | - | |
| 1025 | - <VolumeOfUnitCell> 4.2891e+001 </VolumeOfUnitCell> | |
| 1026 | - <FigureOfMeritWolff name="M20"> 4.0510e+000 </FigureOfMeritWolff> | |
| 1027 | - <FigureOfMeritWu name="Mwu20"> 4.5040e+000 </FigureOfMeritWu> | |
| 1028 | - <ReversedFigureOfMeritWolff name="Mrev20"> 3.2721e+000 </ReversedFigureOfMeritWolff> | |
| 1029 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.3255e+001 </SymmetricFigureOfMeritWolff> | |
| 1030 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1031 | - <NumberOfMillerIndicesInRange> 6.8000e+001 </NumberOfMillerIndicesInRange> | |
| 1032 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 1033 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1034 | - | |
| 1035 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 1036 | - | |
| 1037 | - <EquivalentLatticeCandidates> | |
| 1038 | - <LatticeCandidate> | |
| 1039 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1040 | - <LatticeParameters> 5.7918e+000 3.8430e+000 1.9953e+000 9.0000e+001 1.1015e+002 9.0000e+001 </LatticeParameters> | |
| 1041 | - </LatticeCandidate> | |
| 1042 | - <LatticeCandidate> | |
| 1043 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1044 | - <LatticeParameters> 6.6582e+000 1.9953e+000 3.8430e+000 9.0000e+001 1.2525e+002 9.0000e+001 </LatticeParameters> | |
| 1045 | - </LatticeCandidate> | |
| 1046 | - <LatticeCandidate> | |
| 1047 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1048 | - <LatticeParameters> 4.3301e+000 5.4372e+000 1.9953e+000 9.0000e+001 1.1744e+002 9.0000e+001 </LatticeParameters> | |
| 1049 | - </LatticeCandidate> | |
| 1050 | - <LatticeCandidate> | |
| 1051 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1052 | - <LatticeParameters> 1.9953e+000 3.4754e+000 3.4754e+000 1.0293e+002 1.0668e+002 1.0668e+002 </LatticeParameters> | |
| 1053 | - </LatticeCandidate> | |
| 1054 | - </EquivalentLatticeCandidates> | |
| 1055 | - | |
| 1056 | - </LatticeCandidate> | |
| 1057 | - | |
| 1058 | - <LatticeCandidate number="060565"> | |
| 1059 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1060 | - | |
| 1061 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1062 | - <ReducedLatticeParameters> 2.4304e+000 3.8427e+000 5.4348e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1063 | - <OptimizedLatticeParameters> 2.4304e+000 3.8427e+000 5.4348e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1064 | - | |
| 1065 | - <VolumeOfUnitCell> 5.0757e+001 </VolumeOfUnitCell> | |
| 1066 | - <FigureOfMeritWolff name="M20"> 3.8238e+000 </FigureOfMeritWolff> | |
| 1067 | - <FigureOfMeritWu name="Mwu20"> 4.5293e+000 </FigureOfMeritWu> | |
| 1068 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.2793e+000 </ReversedFigureOfMeritWolff> | |
| 1069 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.7156e+000 </SymmetricFigureOfMeritWolff> | |
| 1070 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1071 | - <NumberOfMillerIndicesInRange> 7.6000e+001 </NumberOfMillerIndicesInRange> | |
| 1072 | - <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks> | |
| 1073 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1074 | - | |
| 1075 | - <NumberOfLatticesInNeighborhood> 4 </NumberOfLatticesInNeighborhood> | |
| 1076 | - | |
| 1077 | - <EquivalentLatticeCandidates> | |
| 1078 | - <LatticeCandidate> | |
| 1079 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1080 | - <LatticeParameters> 5.9517e+000 3.8406e+000 2.4255e+000 9.0000e+001 1.1405e+002 9.0000e+001 </LatticeParameters> | |
| 1081 | - </LatticeCandidate> | |
| 1082 | - <LatticeCandidate> | |
| 1083 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1084 | - <LatticeParameters> 6.6551e+000 2.4255e+000 3.8406e+000 9.0000e+001 1.2525e+002 9.0000e+001 </LatticeParameters> | |
| 1085 | - </LatticeCandidate> | |
| 1086 | - <LatticeCandidate> | |
| 1087 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1088 | - <LatticeParameters> 4.5424e+000 5.4350e+000 2.4255e+000 9.0000e+001 1.2227e+002 9.0000e+001 </LatticeParameters> | |
| 1089 | - </LatticeCandidate> | |
| 1090 | - <LatticeCandidate> | |
| 1091 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1092 | - <LatticeParameters> 2.4255e+000 3.5416e+000 3.5416e+000 1.0022e+002 1.1002e+002 1.1002e+002 </LatticeParameters> | |
| 1093 | - </LatticeCandidate> | |
| 1094 | - </EquivalentLatticeCandidates> | |
| 1095 | - | |
| 1096 | - </LatticeCandidate> | |
| 1097 | - | |
| 1098 | - | |
| 1099 | - | |
| 1100 | - <!-- Candidates for Orthorhombic(C) --> | |
| 1101 | - | |
| 1102 | - <LatticeCandidate number="050725"> | |
| 1103 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 1104 | - | |
| 1105 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1106 | - <ReducedLatticeParameters> 3.8427e+000 5.4348e+000 2.2185e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1107 | - <OptimizedLatticeParameters> 3.8427e+000 5.4348e+000 2.2185e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1108 | - | |
| 1109 | - <VolumeOfUnitCell> 4.6333e+001 </VolumeOfUnitCell> | |
| 1110 | - <FigureOfMeritWolff name="M20"> 2.0374e+001 </FigureOfMeritWolff> | |
| 1111 | - <FigureOfMeritWu name="Mwu20"> 1.8293e+001 </FigureOfMeritWu> | |
| 1112 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.5542e+000 </ReversedFigureOfMeritWolff> | |
| 1113 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.2037e+001 </SymmetricFigureOfMeritWolff> | |
| 1114 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1115 | - <NumberOfMillerIndicesInRange> 7.1750e+001 </NumberOfMillerIndicesInRange> | |
| 1116 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1117 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1118 | - | |
| 1119 | - <NumberOfLatticesInNeighborhood> 28 </NumberOfLatticesInNeighborhood> | |
| 1120 | - | |
| 1121 | - <EquivalentLatticeCandidates> | |
| 1122 | - <LatticeCandidate> | |
| 1123 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1124 | - <LatticeParameters> 2.2071e+000 3.3265e+000 3.3265e+000 1.0958e+002 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1125 | - </LatticeCandidate> | |
| 1126 | - </EquivalentLatticeCandidates> | |
| 1127 | - | |
| 1128 | - </LatticeCandidate> | |
| 1129 | - | |
| 1130 | - <LatticeCandidate number="050128"> | |
| 1131 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 1132 | - | |
| 1133 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1134 | - <ReducedLatticeParameters> 3.8427e+000 5.4348e+000 3.8431e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1135 | - <OptimizedLatticeParameters> 3.8427e+000 5.4348e+000 3.8431e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1136 | - | |
| 1137 | - <VolumeOfUnitCell> 8.0260e+001 </VolumeOfUnitCell> | |
| 1138 | - <FigureOfMeritWolff name="M20"> 1.3669e+001 </FigureOfMeritWolff> | |
| 1139 | - <FigureOfMeritWu name="Mwu20"> 1.6419e+001 </FigureOfMeritWu> | |
| 1140 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0311e+000 </ReversedFigureOfMeritWolff> | |
| 1141 | - <SymmetricFigureOfMeritWolff name="Msym20"> 2.7764e+001 </SymmetricFigureOfMeritWolff> | |
| 1142 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1143 | - <NumberOfMillerIndicesInRange> 1.1175e+002 </NumberOfMillerIndicesInRange> | |
| 1144 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1145 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1146 | - | |
| 1147 | - <NumberOfLatticesInNeighborhood> 11 </NumberOfLatticesInNeighborhood> | |
| 1148 | - | |
| 1149 | - <EquivalentLatticeCandidates> | |
| 1150 | - <LatticeCandidate> | |
| 1151 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1152 | - <LatticeParameters> 3.3259e+000 3.3259e+000 3.8810e+000 9.0000e+001 9.0000e+001 1.0955e+002 </LatticeParameters> | |
| 1153 | - </LatticeCandidate> | |
| 1154 | - </EquivalentLatticeCandidates> | |
| 1155 | - | |
| 1156 | - </LatticeCandidate> | |
| 1157 | - | |
| 1158 | - <LatticeCandidate number="050496"> | |
| 1159 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 1160 | - | |
| 1161 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1162 | - <ReducedLatticeParameters> 3.8453e+000 5.4346e+000 3.0102e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1163 | - <OptimizedLatticeParameters> 3.8453e+000 5.4346e+000 3.0102e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1164 | - | |
| 1165 | - <VolumeOfUnitCell> 6.2905e+001 </VolumeOfUnitCell> | |
| 1166 | - <FigureOfMeritWolff name="M20"> 1.1351e+001 </FigureOfMeritWolff> | |
| 1167 | - <FigureOfMeritWu name="Mwu20"> 9.6206e+000 </FigureOfMeritWu> | |
| 1168 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.2668e+000 </ReversedFigureOfMeritWolff> | |
| 1169 | - <SymmetricFigureOfMeritWolff name="Msym20"> 2.5729e+001 </SymmetricFigureOfMeritWolff> | |
| 1170 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1171 | - <NumberOfMillerIndicesInRange> 9.1500e+001 </NumberOfMillerIndicesInRange> | |
| 1172 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1173 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1174 | - | |
| 1175 | - <NumberOfLatticesInNeighborhood> 219 </NumberOfLatticesInNeighborhood> | |
| 1176 | - | |
| 1177 | - <EquivalentLatticeCandidates> | |
| 1178 | - <LatticeCandidate> | |
| 1179 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1180 | - <LatticeParameters> 4.3017e+000 4.3017e+000 4.3146e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1181 | - </LatticeCandidate> | |
| 1182 | - <LatticeCandidate> | |
| 1183 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1184 | - <LatticeParameters> 4.3017e+000 4.3017e+000 3.3262e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1185 | - </LatticeCandidate> | |
| 1186 | - <LatticeCandidate> | |
| 1187 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1188 | - <LatticeParameters> 4.4781e+000 4.4781e+000 4.8453e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1189 | - </LatticeCandidate> | |
| 1190 | - <LatticeCandidate> | |
| 1191 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1192 | - <LatticeParameters> 3.6775e+000 3.6775e+000 8.1465e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1193 | - </LatticeCandidate> | |
| 1194 | - <LatticeCandidate> | |
| 1195 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1196 | - <LatticeParameters> 4.0355e+000 4.3412e+000 6.2549e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1197 | - </LatticeCandidate> | |
| 1198 | - <LatticeCandidate> | |
| 1199 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1200 | - <LatticeParameters> 4.3412e+000 4.3412e+000 5.4310e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1201 | - </LatticeCandidate> | |
| 1202 | - <LatticeCandidate> | |
| 1203 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1204 | - <LatticeParameters> 3.0151e+000 3.3215e+000 3.3215e+000 1.0968e+002 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1205 | - </LatticeCandidate> | |
| 1206 | - </EquivalentLatticeCandidates> | |
| 1207 | - | |
| 1208 | - </LatticeCandidate> | |
| 1209 | - | |
| 1210 | - <LatticeCandidate number="050793"> | |
| 1211 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 1212 | - | |
| 1213 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1214 | - <ReducedLatticeParameters> 3.8427e+000 5.4348e+000 1.9215e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1215 | - <OptimizedLatticeParameters> 3.8427e+000 5.4348e+000 1.9215e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1216 | - | |
| 1217 | - <VolumeOfUnitCell> 4.0128e+001 </VolumeOfUnitCell> | |
| 1218 | - <FigureOfMeritWolff name="M20"> 7.4861e+000 </FigureOfMeritWolff> | |
| 1219 | - <FigureOfMeritWu name="Mwu20"> 1.0764e+001 </FigureOfMeritWu> | |
| 1220 | - <ReversedFigureOfMeritWolff name="Mrev20"> 7.0942e+000 </ReversedFigureOfMeritWolff> | |
| 1221 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.3108e+001 </SymmetricFigureOfMeritWolff> | |
| 1222 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1223 | - <NumberOfMillerIndicesInRange> 5.9750e+001 </NumberOfMillerIndicesInRange> | |
| 1224 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1225 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1226 | - | |
| 1227 | - <NumberOfLatticesInNeighborhood> 10 </NumberOfLatticesInNeighborhood> | |
| 1228 | - | |
| 1229 | - <EquivalentLatticeCandidates> | |
| 1230 | - <LatticeCandidate> | |
| 1231 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1232 | - <LatticeParameters> 1.8812e+000 3.2763e+000 6.2664e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1233 | - </LatticeCandidate> | |
| 1234 | - <LatticeCandidate> | |
| 1235 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1236 | - <LatticeParameters> 1.9722e+000 3.3259e+000 3.3259e+000 1.0960e+002 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1237 | - </LatticeCandidate> | |
| 1238 | - </EquivalentLatticeCandidates> | |
| 1239 | - | |
| 1240 | - </LatticeCandidate> | |
| 1241 | - | |
| 1242 | - <LatticeCandidate number="050179"> | |
| 1243 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 1244 | - | |
| 1245 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1246 | - <ReducedLatticeParameters> 3.8474e+000 5.4300e+000 3.3212e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1247 | - <OptimizedLatticeParameters> 3.8474e+000 5.4300e+000 3.3212e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1248 | - | |
| 1249 | - <VolumeOfUnitCell> 6.9385e+001 </VolumeOfUnitCell> | |
| 1250 | - <FigureOfMeritWolff name="M20"> 6.0033e+000 </FigureOfMeritWolff> | |
| 1251 | - <FigureOfMeritWu name="Mwu20"> 7.4691e+000 </FigureOfMeritWu> | |
| 1252 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0403e+000 </ReversedFigureOfMeritWolff> | |
| 1253 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.2248e+001 </SymmetricFigureOfMeritWolff> | |
| 1254 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1255 | - <NumberOfMillerIndicesInRange> 1.0350e+002 </NumberOfMillerIndicesInRange> | |
| 1256 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1257 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1258 | - | |
| 1259 | - <NumberOfLatticesInNeighborhood> 54 </NumberOfLatticesInNeighborhood> | |
| 1260 | - | |
| 1261 | - <EquivalentLatticeCandidates> | |
| 1262 | - <LatticeCandidate> | |
| 1263 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1264 | - <LatticeParameters> 4.1989e+000 4.1989e+000 6.8640e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1265 | - </LatticeCandidate> | |
| 1266 | - <LatticeCandidate> | |
| 1267 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1268 | - <LatticeParameters> 4.6913e+000 4.6913e+000 3.5002e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1269 | - </LatticeCandidate> | |
| 1270 | - <LatticeCandidate> | |
| 1271 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1272 | - <LatticeParameters> 4.6913e+000 4.6913e+000 5.0290e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1273 | - </LatticeCandidate> | |
| 1274 | - <LatticeCandidate> | |
| 1275 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1276 | - <LatticeParameters> 4.4789e+000 4.4789e+000 3.5002e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1277 | - </LatticeCandidate> | |
| 1278 | - <LatticeCandidate> | |
| 1279 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1280 | - <LatticeParameters> 4.4789e+000 4.4789e+000 4.4148e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1281 | - </LatticeCandidate> | |
| 1282 | - <LatticeCandidate> | |
| 1283 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1284 | - <LatticeParameters> 4.2040e+000 4.5760e+000 6.3224e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1285 | - </LatticeCandidate> | |
| 1286 | - <LatticeCandidate> | |
| 1287 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1288 | - <LatticeParameters> 3.3527e+000 4.2040e+000 4.2040e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1289 | - </LatticeCandidate> | |
| 1290 | - <LatticeCandidate> | |
| 1291 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1292 | - <LatticeParameters> 2.9432e+000 4.5760e+000 4.5760e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1293 | - </LatticeCandidate> | |
| 1294 | - <LatticeCandidate> | |
| 1295 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1296 | - <LatticeParameters> 3.3158e+000 3.3410e+000 3.3410e+000 1.0888e+002 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1297 | - </LatticeCandidate> | |
| 1298 | - </EquivalentLatticeCandidates> | |
| 1299 | - | |
| 1300 | - </LatticeCandidate> | |
| 1301 | - | |
| 1302 | - <LatticeCandidate number="050622"> | |
| 1303 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 1304 | - | |
| 1305 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1306 | - <ReducedLatticeParameters> 3.8448e+000 5.4349e+000 2.6864e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1307 | - <OptimizedLatticeParameters> 3.8448e+000 5.4349e+000 2.6864e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1308 | - | |
| 1309 | - <VolumeOfUnitCell> 5.6135e+001 </VolumeOfUnitCell> | |
| 1310 | - <FigureOfMeritWolff name="M20"> 5.6450e+000 </FigureOfMeritWolff> | |
| 1311 | - <FigureOfMeritWu name="Mwu20"> 6.0964e+000 </FigureOfMeritWu> | |
| 1312 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.7481e+000 </ReversedFigureOfMeritWolff> | |
| 1313 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.5513e+001 </SymmetricFigureOfMeritWolff> | |
| 1314 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1315 | - <NumberOfMillerIndicesInRange> 8.4500e+001 </NumberOfMillerIndicesInRange> | |
| 1316 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1317 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1318 | - | |
| 1319 | - <NumberOfLatticesInNeighborhood> 58 </NumberOfLatticesInNeighborhood> | |
| 1320 | - | |
| 1321 | - <EquivalentLatticeCandidates> | |
| 1322 | - <LatticeCandidate> | |
| 1323 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1324 | - <LatticeParameters> 2.6853e+000 3.3249e+000 3.3249e+000 1.0954e+002 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1325 | - </LatticeCandidate> | |
| 1326 | - </EquivalentLatticeCandidates> | |
| 1327 | - | |
| 1328 | - </LatticeCandidate> | |
| 1329 | - | |
| 1330 | - <LatticeCandidate number="050356"> | |
| 1331 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 1332 | - | |
| 1333 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1334 | - <ReducedLatticeParameters> 3.8435e+000 6.2388e+000 2.7170e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1335 | - <OptimizedLatticeParameters> 3.8435e+000 6.2388e+000 2.7170e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1336 | - | |
| 1337 | - <VolumeOfUnitCell> 6.5150e+001 </VolumeOfUnitCell> | |
| 1338 | - <FigureOfMeritWolff name="M20"> 4.0626e+000 </FigureOfMeritWolff> | |
| 1339 | - <FigureOfMeritWu name="Mwu20"> 4.2770e+000 </FigureOfMeritWu> | |
| 1340 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.4298e+000 </ReversedFigureOfMeritWolff> | |
| 1341 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.8714e+000 </SymmetricFigureOfMeritWolff> | |
| 1342 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1343 | - <NumberOfMillerIndicesInRange> 9.5500e+001 </NumberOfMillerIndicesInRange> | |
| 1344 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1345 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1346 | - | |
| 1347 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 1348 | - | |
| 1349 | - <EquivalentLatticeCandidates> | |
| 1350 | - <LatticeCandidate> | |
| 1351 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1352 | - <LatticeParameters> 3.4406e+000 3.4406e+000 9.8188e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1353 | - </LatticeCandidate> | |
| 1354 | - <LatticeCandidate> | |
| 1355 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1356 | - <LatticeParameters> 4.3340e+000 4.3340e+000 3.2674e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1357 | - </LatticeCandidate> | |
| 1358 | - <LatticeCandidate> | |
| 1359 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1360 | - <LatticeParameters> 4.3340e+000 4.3340e+000 4.5503e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1361 | - </LatticeCandidate> | |
| 1362 | - <LatticeCandidate> | |
| 1363 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1364 | - <LatticeParameters> 4.5735e+000 4.5735e+000 3.3184e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1365 | - </LatticeCandidate> | |
| 1366 | - <LatticeCandidate> | |
| 1367 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1368 | - <LatticeParameters> 4.0934e+000 4.1750e+000 6.5459e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1369 | - </LatticeCandidate> | |
| 1370 | - <LatticeCandidate> | |
| 1371 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1372 | - <LatticeParameters> 4.1750e+000 4.1750e+000 6.2441e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1373 | - </LatticeCandidate> | |
| 1374 | - <LatticeCandidate> | |
| 1375 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1376 | - <LatticeParameters> 2.5042e+000 3.6604e+000 6.5459e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1377 | - </LatticeCandidate> | |
| 1378 | - <LatticeCandidate> | |
| 1379 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1380 | - <LatticeParameters> 3.0336e+000 4.1750e+000 4.1750e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1381 | - </LatticeCandidate> | |
| 1382 | - <LatticeCandidate> | |
| 1383 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1384 | - <LatticeParameters> 2.7104e+000 3.6660e+000 3.6660e+000 1.1678e+002 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1385 | - </LatticeCandidate> | |
| 1386 | - </EquivalentLatticeCandidates> | |
| 1387 | - | |
| 1388 | - </LatticeCandidate> | |
| 1389 | - | |
| 1390 | - <LatticeCandidate number="050722"> | |
| 1391 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 1392 | - | |
| 1393 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1394 | - <ReducedLatticeParameters> 3.8413e+000 3.8751e+000 3.1341e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1395 | - <OptimizedLatticeParameters> 3.8413e+000 3.8751e+000 3.1341e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1396 | - | |
| 1397 | - <VolumeOfUnitCell> 4.6652e+001 </VolumeOfUnitCell> | |
| 1398 | - <FigureOfMeritWolff name="M20"> 4.0522e+000 </FigureOfMeritWolff> | |
| 1399 | - <FigureOfMeritWu name="Mwu20"> 4.4519e+000 </FigureOfMeritWu> | |
| 1400 | - <ReversedFigureOfMeritWolff name="Mrev20"> 3.2100e+000 </ReversedFigureOfMeritWolff> | |
| 1401 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.3007e+001 </SymmetricFigureOfMeritWolff> | |
| 1402 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1403 | - <NumberOfMillerIndicesInRange> 6.9500e+001 </NumberOfMillerIndicesInRange> | |
| 1404 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 1405 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1406 | - | |
| 1407 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 1408 | - | |
| 1409 | - <EquivalentLatticeCandidates> | |
| 1410 | - <LatticeCandidate> | |
| 1411 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1412 | - <LatticeParameters> 2.7310e+000 2.7310e+000 3.1267e+000 9.0000e+001 9.0000e+001 9.0563e+001 </LatticeParameters> | |
| 1413 | - </LatticeCandidate> | |
| 1414 | - </EquivalentLatticeCandidates> | |
| 1415 | - | |
| 1416 | - </LatticeCandidate> | |
| 1417 | - | |
| 1418 | - <LatticeCandidate number="050678"> | |
| 1419 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 1420 | - | |
| 1421 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1422 | - <ReducedLatticeParameters> 3.8418e+000 5.4355e+000 2.4920e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1423 | - <OptimizedLatticeParameters> 3.8418e+000 5.4355e+000 2.4920e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1424 | - | |
| 1425 | - <VolumeOfUnitCell> 5.2037e+001 </VolumeOfUnitCell> | |
| 1426 | - <FigureOfMeritWolff name="M20"> 3.7806e+000 </FigureOfMeritWolff> | |
| 1427 | - <FigureOfMeritWu name="Mwu20"> 3.7163e+000 </FigureOfMeritWu> | |
| 1428 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.3219e+000 </ReversedFigureOfMeritWolff> | |
| 1429 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.7781e+000 </SymmetricFigureOfMeritWolff> | |
| 1430 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1431 | - <NumberOfMillerIndicesInRange> 7.8000e+001 </NumberOfMillerIndicesInRange> | |
| 1432 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1433 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1434 | - | |
| 1435 | - <NumberOfLatticesInNeighborhood> 33 </NumberOfLatticesInNeighborhood> | |
| 1436 | - | |
| 1437 | - <EquivalentLatticeCandidates> | |
| 1438 | - <LatticeCandidate> | |
| 1439 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1440 | - <LatticeParameters> 2.4652e+000 3.3291e+000 3.3291e+000 1.0950e+002 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1441 | - </LatticeCandidate> | |
| 1442 | - </EquivalentLatticeCandidates> | |
| 1443 | - | |
| 1444 | - </LatticeCandidate> | |
| 1445 | - | |
| 1446 | - <LatticeCandidate number="050688"> | |
| 1447 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 1448 | - | |
| 1449 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1450 | - <ReducedLatticeParameters> 4.1762e+000 6.2688e+000 1.9229e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1451 | - <OptimizedLatticeParameters> 4.1762e+000 6.2688e+000 1.9229e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1452 | - | |
| 1453 | - <VolumeOfUnitCell> 5.0342e+001 </VolumeOfUnitCell> | |
| 1454 | - <FigureOfMeritWolff name="M20"> 3.6445e+000 </FigureOfMeritWolff> | |
| 1455 | - <FigureOfMeritWu name="Mwu20"> 3.1510e+000 </FigureOfMeritWu> | |
| 1456 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0548e+000 </ReversedFigureOfMeritWolff> | |
| 1457 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.4888e+000 </SymmetricFigureOfMeritWolff> | |
| 1458 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1459 | - <NumberOfMillerIndicesInRange> 7.6250e+001 </NumberOfMillerIndicesInRange> | |
| 1460 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1461 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1462 | - | |
| 1463 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 1464 | - | |
| 1465 | - <EquivalentLatticeCandidates> | |
| 1466 | - <LatticeCandidate> | |
| 1467 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1468 | - <LatticeParameters> 6.8218e+000 6.8218e+000 1.8310e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1469 | - </LatticeCandidate> | |
| 1470 | - <LatticeCandidate> | |
| 1471 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1472 | - <LatticeParameters> 6.8218e+000 6.8218e+000 1.8514e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1473 | - </LatticeCandidate> | |
| 1474 | - <LatticeCandidate> | |
| 1475 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1476 | - <LatticeParameters> 1.8666e+000 3.7316e+000 6.9553e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1477 | - </LatticeCandidate> | |
| 1478 | - <LatticeCandidate> | |
| 1479 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1480 | - <LatticeParameters> 1.9377e+000 3.7622e+000 3.7622e+000 1.1243e+002 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1481 | - </LatticeCandidate> | |
| 1482 | - </EquivalentLatticeCandidates> | |
| 1483 | - | |
| 1484 | - </LatticeCandidate> | |
| 1485 | - | |
| 1486 | - <LatticeCandidate number="050671"> | |
| 1487 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 1488 | - | |
| 1489 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1490 | - <ReducedLatticeParameters> 3.8455e+000 4.3751e+000 3.1375e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1491 | - <OptimizedLatticeParameters> 3.8455e+000 4.3751e+000 3.1375e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1492 | - | |
| 1493 | - <VolumeOfUnitCell> 5.2787e+001 </VolumeOfUnitCell> | |
| 1494 | - <FigureOfMeritWolff name="M20"> 3.4001e+000 </FigureOfMeritWolff> | |
| 1495 | - <FigureOfMeritWu name="Mwu20"> 2.9701e+000 </FigureOfMeritWu> | |
| 1496 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.6522e+000 </ReversedFigureOfMeritWolff> | |
| 1497 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.0177e+000 </SymmetricFigureOfMeritWolff> | |
| 1498 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1499 | - <NumberOfMillerIndicesInRange> 7.8000e+001 </NumberOfMillerIndicesInRange> | |
| 1500 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1501 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1502 | - | |
| 1503 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 1504 | - | |
| 1505 | - <EquivalentLatticeCandidates> | |
| 1506 | - <LatticeCandidate> | |
| 1507 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1508 | - <LatticeParameters> 2.4973e+000 5.7749e+000 6.2476e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1509 | - </LatticeCandidate> | |
| 1510 | - <LatticeCandidate> | |
| 1511 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1512 | - <LatticeParameters> 2.9109e+000 2.9109e+000 3.1238e+000 9.0000e+001 9.0000e+001 9.7280e+001 </LatticeParameters> | |
| 1513 | - </LatticeCandidate> | |
| 1514 | - </EquivalentLatticeCandidates> | |
| 1515 | - | |
| 1516 | - </LatticeCandidate> | |
| 1517 | - | |
| 1518 | - <LatticeCandidate number="050825"> | |
| 1519 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 1520 | - | |
| 1521 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1522 | - <ReducedLatticeParameters> 3.8410e+000 5.4357e+000 1.8065e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1523 | - <OptimizedLatticeParameters> 3.8410e+000 5.4357e+000 1.8065e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1524 | - | |
| 1525 | - <VolumeOfUnitCell> 3.7718e+001 </VolumeOfUnitCell> | |
| 1526 | - <FigureOfMeritWolff name="M20"> 3.2357e+000 </FigureOfMeritWolff> | |
| 1527 | - <FigureOfMeritWu name="Mwu20"> 2.9829e+000 </FigureOfMeritWu> | |
| 1528 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.3893e+000 </ReversedFigureOfMeritWolff> | |
| 1529 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.7311e+000 </SymmetricFigureOfMeritWolff> | |
| 1530 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1531 | - <NumberOfMillerIndicesInRange> 5.9000e+001 </NumberOfMillerIndicesInRange> | |
| 1532 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 1533 | - <NumberOfPeaksNecessaryToResolveDominantZone> 6 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1534 | - | |
| 1535 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 1536 | - | |
| 1537 | - <EquivalentLatticeCandidates> | |
| 1538 | - <LatticeCandidate> | |
| 1539 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1540 | - <LatticeParameters> 1.8086e+000 3.3239e+000 3.3239e+000 1.0958e+002 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1541 | - </LatticeCandidate> | |
| 1542 | - </EquivalentLatticeCandidates> | |
| 1543 | - | |
| 1544 | - </LatticeCandidate> | |
| 1545 | - | |
| 1546 | - <LatticeCandidate number="050559"> | |
| 1547 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 1548 | - | |
| 1549 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1550 | - <ReducedLatticeParameters> 3.4371e+000 7.6856e+000 2.2189e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1551 | - <OptimizedLatticeParameters> 3.4371e+000 7.6856e+000 2.2189e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1552 | - | |
| 1553 | - <VolumeOfUnitCell> 5.8614e+001 </VolumeOfUnitCell> | |
| 1554 | - <FigureOfMeritWolff name="M20"> 3.1918e+000 </FigureOfMeritWolff> | |
| 1555 | - <FigureOfMeritWu name="Mwu20"> 3.0740e+000 </FigureOfMeritWu> | |
| 1556 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.3024e+000 </ReversedFigureOfMeritWolff> | |
| 1557 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.3486e+000 </SymmetricFigureOfMeritWolff> | |
| 1558 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1559 | - <NumberOfMillerIndicesInRange> 9.1000e+001 </NumberOfMillerIndicesInRange> | |
| 1560 | - <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks> | |
| 1561 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1562 | - | |
| 1563 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 1564 | - | |
| 1565 | - <EquivalentLatticeCandidates> | |
| 1566 | - <LatticeCandidate> | |
| 1567 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1568 | - <LatticeParameters> 2.2102e+000 3.4374e+000 4.2007e+000 1.1415e+002 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1569 | - </LatticeCandidate> | |
| 1570 | - </EquivalentLatticeCandidates> | |
| 1571 | - | |
| 1572 | - </LatticeCandidate> | |
| 1573 | - | |
| 1574 | - <LatticeCandidate number="050872"> | |
| 1575 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 1576 | - | |
| 1577 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1578 | - <ReducedLatticeParameters> 3.0128e+000 3.2758e+000 3.1369e+000 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1579 | - <OptimizedLatticeParameters> 3.0128e+000 3.2758e+000 3.1369e+000 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1580 | - | |
| 1581 | - <VolumeOfUnitCell> 3.0959e+001 </VolumeOfUnitCell> | |
| 1582 | - <FigureOfMeritWolff name="M20"> 3.0118e+000 </FigureOfMeritWolff> | |
| 1583 | - <FigureOfMeritWu name="Mwu20"> 2.4147e+000 </FigureOfMeritWu> | |
| 1584 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.3799e+000 </ReversedFigureOfMeritWolff> | |
| 1585 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.1678e+000 </SymmetricFigureOfMeritWolff> | |
| 1586 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1587 | - <NumberOfMillerIndicesInRange> 4.9000e+001 </NumberOfMillerIndicesInRange> | |
| 1588 | - <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks> | |
| 1589 | - <NumberOfPeaksNecessaryToResolveDominantZone> 6 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1590 | - | |
| 1591 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 1592 | - | |
| 1593 | - <EquivalentLatticeCandidates> | |
| 1594 | - <LatticeCandidate> | |
| 1595 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1596 | - <LatticeParameters> 1.9510e+000 4.4353e+000 6.2615e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1597 | - </LatticeCandidate> | |
| 1598 | - <LatticeCandidate> | |
| 1599 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1600 | - <LatticeParameters> 2.2254e+000 2.2254e+000 3.1307e+000 9.0000e+001 9.0000e+001 9.4782e+001 </LatticeParameters> | |
| 1601 | - </LatticeCandidate> | |
| 1602 | - </EquivalentLatticeCandidates> | |
| 1603 | - | |
| 1604 | - </LatticeCandidate> | |
| 1605 | - | |
| 1606 | - | |
| 1607 | - | |
| 1608 | - <!-- Candidates for Orthorhombic(P) --> | |
| 1609 | - | |
| 1610 | - | |
| 1611 | - | |
| 1612 | - <!-- Candidates for Monoclinic(B) --> | |
| 1613 | - | |
| 1614 | - <LatticeCandidate number="0306013"> | |
| 1615 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1616 | - | |
| 1617 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1618 | - <ReducedLatticeParameters> 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1619 | - <OptimizedLatticeParameters> 3.9378e+000 5.4347e+000 2.1955e+000 9.0000e+001 1.0261e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1620 | - | |
| 1621 | - <VolumeOfUnitCell> 4.5852e+001 </VolumeOfUnitCell> | |
| 1622 | - <FigureOfMeritWolff name="M20"> 1.0474e+002 </FigureOfMeritWolff> | |
| 1623 | - <FigureOfMeritWu name="Mwu20"> 1.0540e+002 </FigureOfMeritWu> | |
| 1624 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0447e+000 </ReversedFigureOfMeritWolff> | |
| 1625 | - <SymmetricFigureOfMeritWolff name="Msym20"> 2.1415e+002 </SymmetricFigureOfMeritWolff> | |
| 1626 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1627 | - <NumberOfMillerIndicesInRange> 1.0900e+002 </NumberOfMillerIndicesInRange> | |
| 1628 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1629 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1630 | - | |
| 1631 | - <NumberOfLatticesInNeighborhood> 130 </NumberOfLatticesInNeighborhood> | |
| 1632 | - | |
| 1633 | - <EquivalentLatticeCandidates> | |
| 1634 | - <LatticeCandidate> | |
| 1635 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1636 | - <LatticeParameters> 2.1954e+000 3.3567e+000 3.3567e+000 1.0817e+002 9.7353e+001 9.7353e+001 </LatticeParameters> | |
| 1637 | - </LatticeCandidate> | |
| 1638 | - </EquivalentLatticeCandidates> | |
| 1639 | - | |
| 1640 | - </LatticeCandidate> | |
| 1641 | - | |
| 1642 | - <LatticeCandidate number="0305966"> | |
| 1643 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1644 | - | |
| 1645 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1646 | - <ReducedLatticeParameters> 5.6014e+000 3.8435e+000 2.2087e+000 9.0000e+001 1.0402e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1647 | - <OptimizedLatticeParameters> 5.6014e+000 3.8435e+000 2.2087e+000 9.0000e+001 1.0402e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1648 | - | |
| 1649 | - <VolumeOfUnitCell> 4.6134e+001 </VolumeOfUnitCell> | |
| 1650 | - <FigureOfMeritWolff name="M20"> 1.7012e+001 </FigureOfMeritWolff> | |
| 1651 | - <FigureOfMeritWu name="Mwu20"> 1.6003e+001 </FigureOfMeritWu> | |
| 1652 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.3239e+000 </ReversedFigureOfMeritWolff> | |
| 1653 | - <SymmetricFigureOfMeritWolff name="Msym20"> 3.9535e+001 </SymmetricFigureOfMeritWolff> | |
| 1654 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1655 | - <NumberOfMillerIndicesInRange> 1.0950e+002 </NumberOfMillerIndicesInRange> | |
| 1656 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1657 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1658 | - | |
| 1659 | - <NumberOfLatticesInNeighborhood> 11 </NumberOfLatticesInNeighborhood> | |
| 1660 | - | |
| 1661 | - <EquivalentLatticeCandidates> | |
| 1662 | - <LatticeCandidate> | |
| 1663 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1664 | - <LatticeParameters> 2.2275e+000 3.4306e+000 3.4306e+000 6.8079e+001 7.5921e+001 7.5921e+001 </LatticeParameters> | |
| 1665 | - </LatticeCandidate> | |
| 1666 | - </EquivalentLatticeCandidates> | |
| 1667 | - | |
| 1668 | - </LatticeCandidate> | |
| 1669 | - | |
| 1670 | - <LatticeCandidate number="0306494"> | |
| 1671 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1672 | - | |
| 1673 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1674 | - <ReducedLatticeParameters> 3.9257e+000 3.2773e+000 3.3991e+000 9.0000e+001 1.1264e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1675 | - <OptimizedLatticeParameters> 3.9257e+000 3.2773e+000 3.3991e+000 9.0000e+001 1.1264e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1676 | - | |
| 1677 | - <VolumeOfUnitCell> 4.0363e+001 </VolumeOfUnitCell> | |
| 1678 | - <FigureOfMeritWolff name="M20"> 1.5052e+001 </FigureOfMeritWolff> | |
| 1679 | - <FigureOfMeritWu name="Mwu20"> 1.5935e+001 </FigureOfMeritWu> | |
| 1680 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.2133e+000 </ReversedFigureOfMeritWolff> | |
| 1681 | - <SymmetricFigureOfMeritWolff name="Msym20"> 3.3314e+001 </SymmetricFigureOfMeritWolff> | |
| 1682 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1683 | - <NumberOfMillerIndicesInRange> 9.8500e+001 </NumberOfMillerIndicesInRange> | |
| 1684 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1685 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1686 | - | |
| 1687 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 1688 | - | |
| 1689 | - <EquivalentLatticeCandidates> | |
| 1690 | - <LatticeCandidate> | |
| 1691 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1692 | - <LatticeParameters> 2.5527e+000 2.5527e+000 3.3906e+000 7.2917e+001 7.2917e+001 7.9679e+001 </LatticeParameters> | |
| 1693 | - </LatticeCandidate> | |
| 1694 | - </EquivalentLatticeCandidates> | |
| 1695 | - | |
| 1696 | - </LatticeCandidate> | |
| 1697 | - | |
| 1698 | - <LatticeCandidate number="0305536"> | |
| 1699 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1700 | - | |
| 1701 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1702 | - <ReducedLatticeParameters> 3.8995e+000 5.4347e+000 2.5080e+000 9.0000e+001 9.9780e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1703 | - <OptimizedLatticeParameters> 3.8995e+000 5.4347e+000 2.5080e+000 9.0000e+001 9.9780e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1704 | - | |
| 1705 | - <VolumeOfUnitCell> 5.2379e+001 </VolumeOfUnitCell> | |
| 1706 | - <FigureOfMeritWolff name="M20"> 1.4914e+001 </FigureOfMeritWolff> | |
| 1707 | - <FigureOfMeritWu name="Mwu20"> 1.6140e+001 </FigureOfMeritWu> | |
| 1708 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.3352e+000 </ReversedFigureOfMeritWolff> | |
| 1709 | - <SymmetricFigureOfMeritWolff name="Msym20"> 3.4828e+001 </SymmetricFigureOfMeritWolff> | |
| 1710 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1711 | - <NumberOfMillerIndicesInRange> 1.2000e+002 </NumberOfMillerIndicesInRange> | |
| 1712 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1713 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1714 | - | |
| 1715 | - <NumberOfLatticesInNeighborhood> 19 </NumberOfLatticesInNeighborhood> | |
| 1716 | - | |
| 1717 | - <EquivalentLatticeCandidates> | |
| 1718 | - <LatticeCandidate> | |
| 1719 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1720 | - <LatticeParameters> 2.4884e+000 3.3444e+000 3.3444e+000 1.0876e+002 9.5484e+001 9.5484e+001 </LatticeParameters> | |
| 1721 | - </LatticeCandidate> | |
| 1722 | - </EquivalentLatticeCandidates> | |
| 1723 | - | |
| 1724 | - </LatticeCandidate> | |
| 1725 | - | |
| 1726 | - <LatticeCandidate number="0306932"> | |
| 1727 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1728 | - | |
| 1729 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1730 | - <ReducedLatticeParameters> 2.7180e+000 6.2766e+000 2.2841e+000 9.0000e+001 1.2278e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1731 | - <OptimizedLatticeParameters> 2.7180e+000 6.2766e+000 2.2841e+000 9.0000e+001 1.2278e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1732 | - | |
| 1733 | - <VolumeOfUnitCell> 3.2761e+001 </VolumeOfUnitCell> | |
| 1734 | - <FigureOfMeritWolff name="M20"> 1.2509e+001 </FigureOfMeritWolff> | |
| 1735 | - <FigureOfMeritWu name="Mwu20"> 1.1191e+001 </FigureOfMeritWu> | |
| 1736 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1860e+000 </ReversedFigureOfMeritWolff> | |
| 1737 | - <SymmetricFigureOfMeritWolff name="Msym20"> 2.7345e+001 </SymmetricFigureOfMeritWolff> | |
| 1738 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1739 | - <NumberOfMillerIndicesInRange> 7.7000e+001 </NumberOfMillerIndicesInRange> | |
| 1740 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1741 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1742 | - | |
| 1743 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 1744 | - | |
| 1745 | - <EquivalentLatticeCandidates> | |
| 1746 | - <LatticeCandidate> | |
| 1747 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1748 | - <LatticeParameters> 2.2843e+000 2.4211e+000 3.4171e+000 1.0399e+002 1.0241e+002 1.0968e+002 </LatticeParameters> | |
| 1749 | - </LatticeCandidate> | |
| 1750 | - </EquivalentLatticeCandidates> | |
| 1751 | - | |
| 1752 | - </LatticeCandidate> | |
| 1753 | - | |
| 1754 | - <LatticeCandidate number="0305501"> | |
| 1755 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1756 | - | |
| 1757 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1758 | - <ReducedLatticeParameters> 4.1492e+000 5.4345e+000 2.5021e+000 9.0000e+001 1.1215e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1759 | - <OptimizedLatticeParameters> 4.1492e+000 5.4345e+000 2.5021e+000 9.0000e+001 1.1215e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1760 | - | |
| 1761 | - <VolumeOfUnitCell> 5.2254e+001 </VolumeOfUnitCell> | |
| 1762 | - <FigureOfMeritWolff name="M20"> 1.2346e+001 </FigureOfMeritWolff> | |
| 1763 | - <FigureOfMeritWu name="Mwu20"> 1.2301e+001 </FigureOfMeritWu> | |
| 1764 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1265e+000 </ReversedFigureOfMeritWolff> | |
| 1765 | - <SymmetricFigureOfMeritWolff name="Msym20"> 2.6253e+001 </SymmetricFigureOfMeritWolff> | |
| 1766 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1767 | - <NumberOfMillerIndicesInRange> 1.2000e+002 </NumberOfMillerIndicesInRange> | |
| 1768 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1769 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1770 | - | |
| 1771 | - <NumberOfLatticesInNeighborhood> 51 </NumberOfLatticesInNeighborhood> | |
| 1772 | - | |
| 1773 | - <EquivalentLatticeCandidates> | |
| 1774 | - <LatticeCandidate> | |
| 1775 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1776 | - <LatticeParameters> 2.5042e+000 3.4165e+000 3.4165e+000 1.0518e+002 1.0327e+002 1.0327e+002 </LatticeParameters> | |
| 1777 | - </LatticeCandidate> | |
| 1778 | - </EquivalentLatticeCandidates> | |
| 1779 | - | |
| 1780 | - </LatticeCandidate> | |
| 1781 | - | |
| 1782 | - <LatticeCandidate number="0306505"> | |
| 1783 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1784 | - | |
| 1785 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1786 | - <ReducedLatticeParameters> 3.3284e+000 3.8356e+000 3.1857e+000 9.0000e+001 1.0004e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1787 | - <OptimizedLatticeParameters> 3.3284e+000 3.8356e+000 3.1857e+000 9.0000e+001 1.0004e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1788 | - | |
| 1789 | - <VolumeOfUnitCell> 4.0047e+001 </VolumeOfUnitCell> | |
| 1790 | - <FigureOfMeritWolff name="M20"> 1.1046e+001 </FigureOfMeritWolff> | |
| 1791 | - <FigureOfMeritWu name="Mwu20"> 1.3965e+001 </FigureOfMeritWu> | |
| 1792 | - <ReversedFigureOfMeritWolff name="Mrev20"> 3.2318e+000 </ReversedFigureOfMeritWolff> | |
| 1793 | - <SymmetricFigureOfMeritWolff name="Msym20"> 3.5699e+001 </SymmetricFigureOfMeritWolff> | |
| 1794 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1795 | - <NumberOfMillerIndicesInRange> 9.3000e+001 </NumberOfMillerIndicesInRange> | |
| 1796 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1797 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1798 | - | |
| 1799 | - <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood> | |
| 1800 | - | |
| 1801 | - <EquivalentLatticeCandidates> | |
| 1802 | - <LatticeCandidate> | |
| 1803 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1804 | - <LatticeParameters> 2.5315e+000 2.5315e+000 3.1865e+000 9.6565e+001 9.6565e+001 9.7814e+001 </LatticeParameters> | |
| 1805 | - </LatticeCandidate> | |
| 1806 | - </EquivalentLatticeCandidates> | |
| 1807 | - | |
| 1808 | - </LatticeCandidate> | |
| 1809 | - | |
| 1810 | - <LatticeCandidate number="0305986"> | |
| 1811 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1812 | - | |
| 1813 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1814 | - <ReducedLatticeParameters> 4.4368e+000 5.4346e+000 2.2184e+000 9.0000e+001 1.1999e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1815 | - <OptimizedLatticeParameters> 4.4368e+000 5.4346e+000 2.2184e+000 9.0000e+001 1.1999e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1816 | - | |
| 1817 | - <VolumeOfUnitCell> 4.6328e+001 </VolumeOfUnitCell> | |
| 1818 | - <FigureOfMeritWolff name="M20"> 1.0521e+001 </FigureOfMeritWolff> | |
| 1819 | - <FigureOfMeritWu name="Mwu20"> 2.1291e+001 </FigureOfMeritWu> | |
| 1820 | - <ReversedFigureOfMeritWolff name="Mrev20"> 3.9557e+000 </ReversedFigureOfMeritWolff> | |
| 1821 | - <SymmetricFigureOfMeritWolff name="Msym20"> 4.1619e+001 </SymmetricFigureOfMeritWolff> | |
| 1822 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1823 | - <NumberOfMillerIndicesInRange> 1.1000e+002 </NumberOfMillerIndicesInRange> | |
| 1824 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1825 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1826 | - | |
| 1827 | - <NumberOfLatticesInNeighborhood> 26 </NumberOfLatticesInNeighborhood> | |
| 1828 | - | |
| 1829 | - <EquivalentLatticeCandidates> | |
| 1830 | - <LatticeCandidate> | |
| 1831 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1832 | - <LatticeParameters> 2.2165e+000 3.8432e+000 5.4265e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1833 | - </LatticeCandidate> | |
| 1834 | - <LatticeCandidate> | |
| 1835 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1836 | - <LatticeParameters> 2.2165e+000 3.5046e+000 3.5046e+000 1.0147e+002 1.0843e+002 1.0843e+002 </LatticeParameters> | |
| 1837 | - </LatticeCandidate> | |
| 1838 | - </EquivalentLatticeCandidates> | |
| 1839 | - | |
| 1840 | - </LatticeCandidate> | |
| 1841 | - | |
| 1842 | - <LatticeCandidate number="0305832"> | |
| 1843 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1844 | - | |
| 1845 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1846 | - <ReducedLatticeParameters> 6.4304e+000 3.6232e+000 2.1049e+000 9.0000e+001 1.0261e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1847 | - <OptimizedLatticeParameters> 6.4304e+000 3.6232e+000 2.1049e+000 9.0000e+001 1.0261e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1848 | - | |
| 1849 | - <VolumeOfUnitCell> 4.7859e+001 </VolumeOfUnitCell> | |
| 1850 | - <FigureOfMeritWolff name="M20"> 1.0356e+001 </FigureOfMeritWolff> | |
| 1851 | - <FigureOfMeritWu name="Mwu20"> 1.5045e+001 </FigureOfMeritWu> | |
| 1852 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1778e+000 </ReversedFigureOfMeritWolff> | |
| 1853 | - <SymmetricFigureOfMeritWolff name="Msym20"> 2.2553e+001 </SymmetricFigureOfMeritWolff> | |
| 1854 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1855 | - <NumberOfMillerIndicesInRange> 1.1450e+002 </NumberOfMillerIndicesInRange> | |
| 1856 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1857 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1858 | - | |
| 1859 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 1860 | - | |
| 1861 | - <EquivalentLatticeCandidates> | |
| 1862 | - <LatticeCandidate> | |
| 1863 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1864 | - <LatticeParameters> 2.0947e+000 3.6247e+000 6.2782e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1865 | - </LatticeCandidate> | |
| 1866 | - <LatticeCandidate> | |
| 1867 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1868 | - <LatticeParameters> 2.1075e+000 3.6247e+000 3.6931e+000 1.1939e+002 1.0104e+002 9.0000e+001 </LatticeParameters> | |
| 1869 | - </LatticeCandidate> | |
| 1870 | - </EquivalentLatticeCandidates> | |
| 1871 | - | |
| 1872 | - </LatticeCandidate> | |
| 1873 | - | |
| 1874 | - <LatticeCandidate number="0305995"> | |
| 1875 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1876 | - | |
| 1877 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1878 | - <ReducedLatticeParameters> 6.6559e+000 2.2185e+000 3.8429e+000 9.0000e+001 1.2526e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1879 | - <OptimizedLatticeParameters> 6.6564e+000 2.2185e+000 3.8429e+000 9.0000e+001 1.2527e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1880 | - | |
| 1881 | - <VolumeOfUnitCell> 4.6335e+001 </VolumeOfUnitCell> | |
| 1882 | - <FigureOfMeritWolff name="M20"> 9.9347e+000 </FigureOfMeritWolff> | |
| 1883 | - <FigureOfMeritWu name="Mwu20"> 2.2003e+001 </FigureOfMeritWu> | |
| 1884 | - <ReversedFigureOfMeritWolff name="Mrev20"> 4.0114e+000 </ReversedFigureOfMeritWolff> | |
| 1885 | - <SymmetricFigureOfMeritWolff name="Msym20"> 3.9852e+001 </SymmetricFigureOfMeritWolff> | |
| 1886 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1887 | - <NumberOfMillerIndicesInRange> 1.2000e+002 </NumberOfMillerIndicesInRange> | |
| 1888 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1889 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1890 | - | |
| 1891 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 1892 | - | |
| 1893 | - <EquivalentLatticeCandidates> | |
| 1894 | - <LatticeCandidate> | |
| 1895 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1896 | - <LatticeParameters> 5.6651e+000 5.6651e+000 2.1732e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1897 | - </LatticeCandidate> | |
| 1898 | - <LatticeCandidate> | |
| 1899 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1900 | - <LatticeParameters> 2.2128e+000 3.8432e+000 5.4214e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1901 | - </LatticeCandidate> | |
| 1902 | - <LatticeCandidate> | |
| 1903 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1904 | - <LatticeParameters> 2.2128e+000 3.5009e+000 3.5033e+000 1.0143e+002 1.0841e+002 1.0842e+002 </LatticeParameters> | |
| 1905 | - </LatticeCandidate> | |
| 1906 | - </EquivalentLatticeCandidates> | |
| 1907 | - | |
| 1908 | - </LatticeCandidate> | |
| 1909 | - | |
| 1910 | - <LatticeCandidate number="0305965"> | |
| 1911 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1912 | - | |
| 1913 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1914 | - <ReducedLatticeParameters> 5.4549e+000 3.8422e+000 2.1923e+000 9.0000e+001 9.4806e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1915 | - <OptimizedLatticeParameters> 5.4549e+000 3.8422e+000 2.1923e+000 9.0000e+001 9.4806e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1916 | - | |
| 1917 | - <VolumeOfUnitCell> 4.5787e+001 </VolumeOfUnitCell> | |
| 1918 | - <FigureOfMeritWolff name="M20"> 7.5332e+000 </FigureOfMeritWolff> | |
| 1919 | - <FigureOfMeritWu name="Mwu20"> 7.5799e+000 </FigureOfMeritWu> | |
| 1920 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.3131e+000 </ReversedFigureOfMeritWolff> | |
| 1921 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.7425e+001 </SymmetricFigureOfMeritWolff> | |
| 1922 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1923 | - <NumberOfMillerIndicesInRange> 1.1100e+002 </NumberOfMillerIndicesInRange> | |
| 1924 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1925 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1926 | - | |
| 1927 | - <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood> | |
| 1928 | - | |
| 1929 | - <EquivalentLatticeCandidates> | |
| 1930 | - <LatticeCandidate> | |
| 1931 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1932 | - <LatticeParameters> 2.2279e+000 3.3383e+000 3.3383e+000 7.0248e+001 8.5277e+001 8.5277e+001 </LatticeParameters> | |
| 1933 | - </LatticeCandidate> | |
| 1934 | - </EquivalentLatticeCandidates> | |
| 1935 | - | |
| 1936 | - </LatticeCandidate> | |
| 1937 | - | |
| 1938 | - <LatticeCandidate number="0306956"> | |
| 1939 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1940 | - | |
| 1941 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1942 | - <ReducedLatticeParameters> 3.3280e+000 3.0150e+000 3.1862e+000 9.0000e+001 1.0003e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1943 | - <OptimizedLatticeParameters> 3.3280e+000 3.0150e+000 3.1862e+000 9.0000e+001 1.0003e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1944 | - | |
| 1945 | - <VolumeOfUnitCell> 3.1482e+001 </VolumeOfUnitCell> | |
| 1946 | - <FigureOfMeritWolff name="M20"> 6.2112e+000 </FigureOfMeritWolff> | |
| 1947 | - <FigureOfMeritWu name="Mwu20"> 6.7168e+000 </FigureOfMeritWu> | |
| 1948 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.5686e+000 </ReversedFigureOfMeritWolff> | |
| 1949 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.5954e+001 </SymmetricFigureOfMeritWolff> | |
| 1950 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1951 | - <NumberOfMillerIndicesInRange> 7.8000e+001 </NumberOfMillerIndicesInRange> | |
| 1952 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 1953 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1954 | - | |
| 1955 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 1956 | - | |
| 1957 | - <EquivalentLatticeCandidates> | |
| 1958 | - <LatticeCandidate> | |
| 1959 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1960 | - <LatticeParameters> 2.2446e+000 2.2446e+000 3.1856e+000 8.2558e+001 8.2558e+001 8.4429e+001 </LatticeParameters> | |
| 1961 | - </LatticeCandidate> | |
| 1962 | - </EquivalentLatticeCandidates> | |
| 1963 | - | |
| 1964 | - </LatticeCandidate> | |
| 1965 | - | |
| 1966 | - <LatticeCandidate number="0305757"> | |
| 1967 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1968 | - | |
| 1969 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1970 | - <ReducedLatticeParameters> 5.4658e+000 3.8428e+000 2.3307e+000 9.0000e+001 9.6123e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1971 | - <OptimizedLatticeParameters> 5.4658e+000 3.8428e+000 2.3307e+000 9.0000e+001 9.6123e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1972 | - | |
| 1973 | - <VolumeOfUnitCell> 4.8675e+001 </VolumeOfUnitCell> | |
| 1974 | - <FigureOfMeritWolff name="M20"> 6.1793e+000 </FigureOfMeritWolff> | |
| 1975 | - <FigureOfMeritWu name="Mwu20"> 6.2616e+000 </FigureOfMeritWu> | |
| 1976 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.2271e+000 </ReversedFigureOfMeritWolff> | |
| 1977 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.3762e+001 </SymmetricFigureOfMeritWolff> | |
| 1978 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1979 | - <NumberOfMillerIndicesInRange> 1.1700e+002 </NumberOfMillerIndicesInRange> | |
| 1980 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1981 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1982 | - | |
| 1983 | - <NumberOfLatticesInNeighborhood> 9 </NumberOfLatticesInNeighborhood> | |
| 1984 | - | |
| 1985 | - <EquivalentLatticeCandidates> | |
| 1986 | - <LatticeCandidate> | |
| 1987 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1988 | - <LatticeParameters> 2.3307e+000 3.3382e+000 3.3382e+000 7.0290e+001 8.4966e+001 8.4966e+001 </LatticeParameters> | |
| 1989 | - </LatticeCandidate> | |
| 1990 | - </EquivalentLatticeCandidates> | |
| 1991 | - | |
| 1992 | - </LatticeCandidate> | |
| 1993 | - | |
| 1994 | - <LatticeCandidate number="0305709"> | |
| 1995 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1996 | - | |
| 1997 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1998 | - <ReducedLatticeParameters> 3.3284e+000 4.7464e+000 3.1868e+000 9.0000e+001 9.9985e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1999 | - <OptimizedLatticeParameters> 3.3284e+000 4.7464e+000 3.1868e+000 9.0000e+001 9.9985e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 2000 | - | |
| 2001 | - <VolumeOfUnitCell> 4.9583e+001 </VolumeOfUnitCell> | |
| 2002 | - <FigureOfMeritWolff name="M20"> 5.2850e+000 </FigureOfMeritWolff> | |
| 2003 | - <FigureOfMeritWu name="Mwu20"> 6.0539e+000 </FigureOfMeritWu> | |
| 2004 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.2321e+000 </ReversedFigureOfMeritWolff> | |
| 2005 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.1797e+001 </SymmetricFigureOfMeritWolff> | |
| 2006 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2007 | - <NumberOfMillerIndicesInRange> 1.1800e+002 </NumberOfMillerIndicesInRange> | |
| 2008 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 2009 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2010 | - | |
| 2011 | - <NumberOfLatticesInNeighborhood> 18 </NumberOfLatticesInNeighborhood> | |
| 2012 | - | |
| 2013 | - <EquivalentLatticeCandidates> | |
| 2014 | - <LatticeCandidate> | |
| 2015 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2016 | - <LatticeParameters> 2.8948e+000 2.8948e+000 3.1853e+000 9.5751e+001 9.5751e+001 1.0983e+002 </LatticeParameters> | |
| 2017 | - </LatticeCandidate> | |
| 2018 | - </EquivalentLatticeCandidates> | |
| 2019 | - | |
| 2020 | - </LatticeCandidate> | |
| 2021 | - | |
| 2022 | - <LatticeCandidate number="0305770"> | |
| 2023 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2024 | - | |
| 2025 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2026 | - <ReducedLatticeParameters> 3.8607e+000 5.4333e+000 2.3159e+000 9.0000e+001 9.5247e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 2027 | - <OptimizedLatticeParameters> 3.8607e+000 5.4333e+000 2.3159e+000 9.0000e+001 9.5247e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 2028 | - | |
| 2029 | - <VolumeOfUnitCell> 4.8374e+001 </VolumeOfUnitCell> | |
| 2030 | - <FigureOfMeritWolff name="M20"> 5.1359e+000 </FigureOfMeritWolff> | |
| 2031 | - <FigureOfMeritWu name="Mwu20"> 4.8826e+000 </FigureOfMeritWu> | |
| 2032 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1921e+000 </ReversedFigureOfMeritWolff> | |
| 2033 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.1258e+001 </SymmetricFigureOfMeritWolff> | |
| 2034 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2035 | - <NumberOfMillerIndicesInRange> 1.1350e+002 </NumberOfMillerIndicesInRange> | |
| 2036 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 2037 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2038 | - | |
| 2039 | - <NumberOfLatticesInNeighborhood> 48 </NumberOfLatticesInNeighborhood> | |
| 2040 | - | |
| 2041 | - <EquivalentLatticeCandidates> | |
| 2042 | - <LatticeCandidate> | |
| 2043 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2044 | - <LatticeParameters> 2.3240e+000 3.3307e+000 3.3307e+000 1.0935e+002 9.2517e+001 9.2517e+001 </LatticeParameters> | |
| 2045 | - </LatticeCandidate> | |
| 2046 | - </EquivalentLatticeCandidates> | |
| 2047 | - | |
| 2048 | - </LatticeCandidate> | |
| 2049 | - | |
| 2050 | - <LatticeCandidate number="0306802"> | |
| 2051 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2052 | - | |
| 2053 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2054 | - <ReducedLatticeParameters> 3.4367e+000 3.8420e+000 2.8501e+000 9.0000e+001 1.0756e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2055 | - <OptimizedLatticeParameters> 3.4367e+000 3.8420e+000 2.8501e+000 9.0000e+001 1.0756e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2056 | - | |
| 2057 | - <VolumeOfUnitCell> 3.5879e+001 </VolumeOfUnitCell> | |
| 2058 | - <FigureOfMeritWolff name="M20"> 5.1225e+000 </FigureOfMeritWolff> | |
| 2059 | - <FigureOfMeritWu name="Mwu20"> 6.2381e+000 </FigureOfMeritWu> | |
| 2060 | - <ReversedFigureOfMeritWolff name="Mrev20"> 3.3275e+000 </ReversedFigureOfMeritWolff> | |
| 2061 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.7045e+001 </SymmetricFigureOfMeritWolff> | |
| 2062 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2063 | - <NumberOfMillerIndicesInRange> 8.5000e+001 </NumberOfMillerIndicesInRange> | |
| 2064 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 2065 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2066 | - | |
| 2067 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 2068 | - | |
| 2069 | - <EquivalentLatticeCandidates> | |
| 2070 | - <LatticeCandidate> | |
| 2071 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 2072 | - <LatticeParameters> 3.9420e+000 3.9420e+000 3.7527e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 2073 | - </LatticeCandidate> | |
| 2074 | - <LatticeCandidate> | |
| 2075 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 2076 | - <LatticeParameters> 4.1287e+000 4.1287e+000 2.7557e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 2077 | - </LatticeCandidate> | |
| 2078 | - <LatticeCandidate> | |
| 2079 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 2080 | - <LatticeParameters> 4.1287e+000 4.1287e+000 2.1796e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 2081 | - </LatticeCandidate> | |
| 2082 | - <LatticeCandidate> | |
| 2083 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 2084 | - <LatticeParameters> 2.4935e+000 2.4935e+000 5.4406e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 2085 | - </LatticeCandidate> | |
| 2086 | - <LatticeCandidate> | |
| 2087 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2088 | - <LatticeParameters> 2.5781e+000 2.5781e+000 2.8507e+000 1.0152e+002 1.0152e+002 9.6163e+001 </LatticeParameters> | |
| 2089 | - </LatticeCandidate> | |
| 2090 | - </EquivalentLatticeCandidates> | |
| 2091 | - | |
| 2092 | - </LatticeCandidate> | |
| 2093 | - | |
| 2094 | - <LatticeCandidate number="0306861"> | |
| 2095 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2096 | - | |
| 2097 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2098 | - <ReducedLatticeParameters> 6.3173e+000 2.4933e+000 2.2339e+000 9.0000e+001 9.6812e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 2099 | - <OptimizedLatticeParameters> 6.3173e+000 2.4933e+000 2.2339e+000 9.0000e+001 9.6812e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 2100 | - | |
| 2101 | - <VolumeOfUnitCell> 3.4938e+001 </VolumeOfUnitCell> | |
| 2102 | - <FigureOfMeritWolff name="M20"> 4.8787e+000 </FigureOfMeritWolff> | |
| 2103 | - <FigureOfMeritWu name="Mwu20"> 4.8516e+000 </FigureOfMeritWu> | |
| 2104 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0558e+000 </ReversedFigureOfMeritWolff> | |
| 2105 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.0029e+001 </SymmetricFigureOfMeritWolff> | |
| 2106 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2107 | - <NumberOfMillerIndicesInRange> 8.8000e+001 </NumberOfMillerIndicesInRange> | |
| 2108 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 2109 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2110 | - | |
| 2111 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 2112 | - | |
| 2113 | - <EquivalentLatticeCandidates> | |
| 2114 | - <LatticeCandidate> | |
| 2115 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2116 | - <LatticeParameters> 2.2339e+000 2.4933e+000 3.3958e+000 1.1154e+002 9.6334e+001 9.0000e+001 </LatticeParameters> | |
| 2117 | - </LatticeCandidate> | |
| 2118 | - </EquivalentLatticeCandidates> | |
| 2119 | - | |
| 2120 | - </LatticeCandidate> | |
| 2121 | - | |
| 2122 | - <LatticeCandidate number="0305589"> | |
| 2123 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2124 | - | |
| 2125 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2126 | - <ReducedLatticeParameters> 5.9436e+000 3.8428e+000 2.4677e+000 9.0000e+001 1.1388e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2127 | - <OptimizedLatticeParameters> 5.9436e+000 3.8428e+000 2.4677e+000 9.0000e+001 1.1388e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2128 | - | |
| 2129 | - <VolumeOfUnitCell> 5.1537e+001 </VolumeOfUnitCell> | |
| 2130 | - <FigureOfMeritWolff name="M20"> 4.2058e+000 </FigureOfMeritWolff> | |
| 2131 | - <FigureOfMeritWu name="Mwu20"> 5.4259e+000 </FigureOfMeritWu> | |
| 2132 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6728e+000 </ReversedFigureOfMeritWolff> | |
| 2133 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.0354e+000 </SymmetricFigureOfMeritWolff> | |
| 2134 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2135 | - <NumberOfMillerIndicesInRange> 1.2000e+002 </NumberOfMillerIndicesInRange> | |
| 2136 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 2137 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2138 | - | |
| 2139 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 2140 | - | |
| 2141 | - <EquivalentLatticeCandidates> | |
| 2142 | - <LatticeCandidate> | |
| 2143 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 2144 | - <LatticeParameters> 2.4559e+000 3.8430e+000 5.4372e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 2145 | - </LatticeCandidate> | |
| 2146 | - <LatticeCandidate> | |
| 2147 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2148 | - <LatticeParameters> 2.4559e+000 3.5446e+000 3.5446e+000 6.5651e+001 6.9917e+001 6.9917e+001 </LatticeParameters> | |
| 2149 | - </LatticeCandidate> | |
| 2150 | - </EquivalentLatticeCandidates> | |
| 2151 | - | |
| 2152 | - </LatticeCandidate> | |
| 2153 | - | |
| 2154 | - <LatticeCandidate number="0306501"> | |
| 2155 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2156 | - | |
| 2157 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2158 | - <ReducedLatticeParameters> 2.0970e+000 5.4345e+000 3.5151e+000 9.0000e+001 9.5593e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 2159 | - <OptimizedLatticeParameters> 2.0970e+000 5.4345e+000 3.5151e+000 9.0000e+001 9.5593e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 2160 | - | |
| 2161 | - <VolumeOfUnitCell> 3.9868e+001 </VolumeOfUnitCell> | |
| 2162 | - <FigureOfMeritWolff name="M20"> 3.7319e+000 </FigureOfMeritWolff> | |
| 2163 | - <FigureOfMeritWu name="Mwu20"> 4.0421e+000 </FigureOfMeritWu> | |
| 2164 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.3573e+000 </ReversedFigureOfMeritWolff> | |
| 2165 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.7970e+000 </SymmetricFigureOfMeritWolff> | |
| 2166 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2167 | - <NumberOfMillerIndicesInRange> 9.4000e+001 </NumberOfMillerIndicesInRange> | |
| 2168 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 2169 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2170 | - | |
| 2171 | - <NumberOfLatticesInNeighborhood> 75 </NumberOfLatticesInNeighborhood> | |
| 2172 | - | |
| 2173 | - <EquivalentLatticeCandidates> | |
| 2174 | - <LatticeCandidate> | |
| 2175 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 2176 | - <LatticeParameters> 2.0562e+000 5.4385e+000 6.9921e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 2177 | - </LatticeCandidate> | |
| 2178 | - <LatticeCandidate> | |
| 2179 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2180 | - <LatticeParameters> 2.0982e+000 2.9146e+000 3.5124e+000 8.8012e+001 8.4470e+001 6.8903e+001 </LatticeParameters> | |
| 2181 | - </LatticeCandidate> | |
| 2182 | - </EquivalentLatticeCandidates> | |
| 2183 | - | |
| 2184 | - </LatticeCandidate> | |
| 2185 | - | |
| 2186 | - <LatticeCandidate number="0306470"> | |
| 2187 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2188 | - | |
| 2189 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2190 | - <ReducedLatticeParameters> 4.1439e+000 5.4334e+000 1.9697e+000 9.0000e+001 1.1197e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2191 | - <OptimizedLatticeParameters> 4.1439e+000 5.4334e+000 1.9697e+000 9.0000e+001 1.1197e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2192 | - | |
| 2193 | - <VolumeOfUnitCell> 4.1128e+001 </VolumeOfUnitCell> | |
| 2194 | - <FigureOfMeritWolff name="M20"> 3.6585e+000 </FigureOfMeritWolff> | |
| 2195 | - <FigureOfMeritWu name="Mwu20"> 3.7080e+000 </FigureOfMeritWu> | |
| 2196 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1936e+000 </ReversedFigureOfMeritWolff> | |
| 2197 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.0254e+000 </SymmetricFigureOfMeritWolff> | |
| 2198 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2199 | - <NumberOfMillerIndicesInRange> 9.8000e+001 </NumberOfMillerIndicesInRange> | |
| 2200 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 2201 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2202 | - | |
| 2203 | - <NumberOfLatticesInNeighborhood> 21 </NumberOfLatticesInNeighborhood> | |
| 2204 | - | |
| 2205 | - <EquivalentLatticeCandidates> | |
| 2206 | - <LatticeCandidate> | |
| 2207 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2208 | - <LatticeParameters> 1.9455e+000 3.4066e+000 3.4066e+000 1.0589e+002 1.0225e+002 1.0225e+002 </LatticeParameters> | |
| 2209 | - </LatticeCandidate> | |
| 2210 | - </EquivalentLatticeCandidates> | |
| 2211 | - | |
| 2212 | - </LatticeCandidate> | |
| 2213 | - | |
| 2214 | - <LatticeCandidate number="0306407"> | |
| 2215 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2216 | - | |
| 2217 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2218 | - <ReducedLatticeParameters> 2.4689e+000 5.4350e+000 3.1610e+000 9.0000e+001 9.6902e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 2219 | - <OptimizedLatticeParameters> 2.4689e+000 5.4350e+000 3.1610e+000 9.0000e+001 9.6902e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 2220 | - | |
| 2221 | - <VolumeOfUnitCell> 4.2109e+001 </VolumeOfUnitCell> | |
| 2222 | - <FigureOfMeritWolff name="M20"> 3.5238e+000 </FigureOfMeritWolff> | |
| 2223 | - <FigureOfMeritWu name="Mwu20"> 3.2260e+000 </FigureOfMeritWu> | |
| 2224 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1636e+000 </ReversedFigureOfMeritWolff> | |
| 2225 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.6239e+000 </SymmetricFigureOfMeritWolff> | |
| 2226 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2227 | - <NumberOfMillerIndicesInRange> 9.4000e+001 </NumberOfMillerIndicesInRange> | |
| 2228 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 2229 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2230 | - | |
| 2231 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 2232 | - | |
| 2233 | - <EquivalentLatticeCandidates> | |
| 2234 | - <LatticeCandidate> | |
| 2235 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2236 | - <LatticeParameters> 2.4544e+000 2.9815e+000 3.1706e+000 8.7038e+001 8.2789e+001 6.5694e+001 </LatticeParameters> | |
| 2237 | - </LatticeCandidate> | |
| 2238 | - </EquivalentLatticeCandidates> | |
| 2239 | - | |
| 2240 | - </LatticeCandidate> | |
| 2241 | - | |
| 2242 | - <LatticeCandidate number="0305983"> | |
| 2243 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2244 | - | |
| 2245 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2246 | - <ReducedLatticeParameters> 4.3142e+000 4.6992e+000 2.2980e+000 9.0000e+001 9.8579e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 2247 | - <OptimizedLatticeParameters> 4.3142e+000 4.6992e+000 2.2980e+000 9.0000e+001 9.8579e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 2248 | - | |
| 2249 | - <VolumeOfUnitCell> 4.6067e+001 </VolumeOfUnitCell> | |
| 2250 | - <FigureOfMeritWolff name="M20"> 3.5236e+000 </FigureOfMeritWolff> | |
| 2251 | - <FigureOfMeritWu name="Mwu20"> 3.2574e+000 </FigureOfMeritWu> | |
| 2252 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0307e+000 </ReversedFigureOfMeritWolff> | |
| 2253 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.1555e+000 </SymmetricFigureOfMeritWolff> | |
| 2254 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2255 | - <NumberOfMillerIndicesInRange> 1.0950e+002 </NumberOfMillerIndicesInRange> | |
| 2256 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 2257 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2258 | - | |
| 2259 | - <NumberOfLatticesInNeighborhood> 17 </NumberOfLatticesInNeighborhood> | |
| 2260 | - | |
| 2261 | - <EquivalentLatticeCandidates> | |
| 2262 | - <LatticeCandidate> | |
| 2263 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2264 | - <LatticeParameters> 2.2894e+000 3.2014e+000 3.2014e+000 9.4807e+001 9.5804e+001 9.5804e+001 </LatticeParameters> | |
| 2265 | - </LatticeCandidate> | |
| 2266 | - </EquivalentLatticeCandidates> | |
| 2267 | - | |
| 2268 | - </LatticeCandidate> | |
| 2269 | - | |
| 2270 | - <LatticeCandidate number="0306806"> | |
| 2271 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2272 | - | |
| 2273 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2274 | - <ReducedLatticeParameters> 2.9709e+000 6.2730e+000 2.3592e+000 9.0000e+001 1.2548e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2275 | - <OptimizedLatticeParameters> 2.9709e+000 6.2730e+000 2.3592e+000 9.0000e+001 1.2548e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2276 | - | |
| 2277 | - <VolumeOfUnitCell> 3.5804e+001 </VolumeOfUnitCell> | |
| 2278 | - <FigureOfMeritWolff name="M20"> 3.5056e+000 </FigureOfMeritWolff> | |
| 2279 | - <FigureOfMeritWu name="Mwu20"> 3.2313e+000 </FigureOfMeritWu> | |
| 2280 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0691e+000 </ReversedFigureOfMeritWolff> | |
| 2281 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.2535e+000 </SymmetricFigureOfMeritWolff> | |
| 2282 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2283 | - <NumberOfMillerIndicesInRange> 8.3000e+001 </NumberOfMillerIndicesInRange> | |
| 2284 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 2285 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2286 | - | |
| 2287 | - <NumberOfLatticesInNeighborhood> 10 </NumberOfLatticesInNeighborhood> | |
| 2288 | - | |
| 2289 | - <EquivalentLatticeCandidates> | |
| 2290 | - <LatticeCandidate> | |
| 2291 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2292 | - <LatticeParameters> 2.3553e+000 2.5083e+000 3.4720e+000 1.0602e+002 1.0438e+002 1.0457e+002 </LatticeParameters> | |
| 2293 | - </LatticeCandidate> | |
| 2294 | - </EquivalentLatticeCandidates> | |
| 2295 | - | |
| 2296 | - </LatticeCandidate> | |
| 2297 | - | |
| 2298 | - <LatticeCandidate number="0307006"> | |
| 2299 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2300 | - | |
| 2301 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2302 | - <ReducedLatticeParameters> 2.4131e+000 6.2711e+000 2.0305e+000 9.0000e+001 1.0890e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2303 | - <OptimizedLatticeParameters> 2.4131e+000 6.2711e+000 2.0305e+000 9.0000e+001 1.0890e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2304 | - | |
| 2305 | - <VolumeOfUnitCell> 2.9069e+001 </VolumeOfUnitCell> | |
| 2306 | - <FigureOfMeritWolff name="M20"> 3.4901e+000 </FigureOfMeritWolff> | |
| 2307 | - <FigureOfMeritWu name="Mwu20"> 3.0315e+000 </FigureOfMeritWu> | |
| 2308 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0839e+000 </ReversedFigureOfMeritWolff> | |
| 2309 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.2732e+000 </SymmetricFigureOfMeritWolff> | |
| 2310 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2311 | - <NumberOfMillerIndicesInRange> 6.7500e+001 </NumberOfMillerIndicesInRange> | |
| 2312 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2313 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2314 | - | |
| 2315 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 2316 | - | |
| 2317 | - <EquivalentLatticeCandidates> | |
| 2318 | - <LatticeCandidate> | |
| 2319 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2320 | - <LatticeParameters> 2.0265e+000 2.4057e+000 3.3593e+000 6.9018e+001 8.3430e+001 7.1365e+001 </LatticeParameters> | |
| 2321 | - </LatticeCandidate> | |
| 2322 | - </EquivalentLatticeCandidates> | |
| 2323 | - | |
| 2324 | - </LatticeCandidate> | |
| 2325 | - | |
| 2326 | - <LatticeCandidate number="0306680"> | |
| 2327 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2328 | - | |
| 2329 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2330 | - <ReducedLatticeParameters> 3.1467e+000 3.8431e+000 3.4135e+000 9.0000e+001 1.1290e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2331 | - <OptimizedLatticeParameters> 3.1467e+000 3.8431e+000 3.4135e+000 9.0000e+001 1.1290e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2332 | - | |
| 2333 | - <VolumeOfUnitCell> 3.8028e+001 </VolumeOfUnitCell> | |
| 2334 | - <FigureOfMeritWolff name="M20"> 3.3596e+000 </FigureOfMeritWolff> | |
| 2335 | - <FigureOfMeritWu name="Mwu20"> 3.2436e+000 </FigureOfMeritWu> | |
| 2336 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.9334e+000 </ReversedFigureOfMeritWolff> | |
| 2337 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.4954e+000 </SymmetricFigureOfMeritWolff> | |
| 2338 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2339 | - <NumberOfMillerIndicesInRange> 9.0000e+001 </NumberOfMillerIndicesInRange> | |
| 2340 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 2341 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2342 | - | |
| 2343 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 2344 | - | |
| 2345 | - <EquivalentLatticeCandidates> | |
| 2346 | - <LatticeCandidate> | |
| 2347 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2348 | - <LatticeParameters> 2.4822e+000 2.4822e+000 3.3970e+000 1.0407e+002 1.0407e+002 1.0144e+002 </LatticeParameters> | |
| 2349 | - </LatticeCandidate> | |
| 2350 | - </EquivalentLatticeCandidates> | |
| 2351 | - | |
| 2352 | - </LatticeCandidate> | |
| 2353 | - | |
| 2354 | - <LatticeCandidate number="0306533"> | |
| 2355 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2356 | - | |
| 2357 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2358 | - <ReducedLatticeParameters> 4.4503e+000 2.8265e+000 3.6320e+000 9.0000e+001 1.2028e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2359 | - <OptimizedLatticeParameters> 4.4503e+000 2.8265e+000 3.6320e+000 9.0000e+001 1.2028e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2360 | - | |
| 2361 | - <VolumeOfUnitCell> 3.9454e+001 </VolumeOfUnitCell> | |
| 2362 | - <FigureOfMeritWolff name="M20"> 3.3149e+000 </FigureOfMeritWolff> | |
| 2363 | - <FigureOfMeritWu name="Mwu20"> 2.9375e+000 </FigureOfMeritWu> | |
| 2364 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8781e+000 </ReversedFigureOfMeritWolff> | |
| 2365 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.2258e+000 </SymmetricFigureOfMeritWolff> | |
| 2366 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2367 | - <NumberOfMillerIndicesInRange> 1.0000e+002 </NumberOfMillerIndicesInRange> | |
| 2368 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 2369 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2370 | - | |
| 2371 | - <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood> | |
| 2372 | - | |
| 2373 | - <EquivalentLatticeCandidates> | |
| 2374 | - <LatticeCandidate> | |
| 2375 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2376 | - <LatticeParameters> 2.6360e+000 2.6360e+000 3.4627e+000 1.0835e+002 9.7053e+001 1.1516e+002 </LatticeParameters> | |
| 2377 | - </LatticeCandidate> | |
| 2378 | - </EquivalentLatticeCandidates> | |
| 2379 | - | |
| 2380 | - </LatticeCandidate> | |
| 2381 | - | |
| 2382 | - <LatticeCandidate number="0306454"> | |
| 2383 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2384 | - | |
| 2385 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2386 | - <ReducedLatticeParameters> 6.4456e+000 2.0256e+000 3.1574e+000 9.0000e+001 9.5434e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 2387 | - <OptimizedLatticeParameters> 6.4456e+000 2.0256e+000 3.1574e+000 9.0000e+001 9.5434e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 2388 | - | |
| 2389 | - <VolumeOfUnitCell> 4.1038e+001 </VolumeOfUnitCell> | |
| 2390 | - <FigureOfMeritWolff name="M20"> 3.2627e+000 </FigureOfMeritWolff> | |
| 2391 | - <FigureOfMeritWu name="Mwu20"> 2.9415e+000 </FigureOfMeritWu> | |
| 2392 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1352e+000 </ReversedFigureOfMeritWolff> | |
| 2393 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.9667e+000 </SymmetricFigureOfMeritWolff> | |
| 2394 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2395 | - <NumberOfMillerIndicesInRange> 1.0450e+002 </NumberOfMillerIndicesInRange> | |
| 2396 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2397 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2398 | - | |
| 2399 | - <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood> | |
| 2400 | - | |
| 2401 | - <EquivalentLatticeCandidates> | |
| 2402 | - <LatticeCandidate> | |
| 2403 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2404 | - <LatticeParameters> 2.0244e+000 3.1508e+000 3.3757e+000 9.5201e+001 1.0745e+002 9.0000e+001 </LatticeParameters> | |
| 2405 | - </LatticeCandidate> | |
| 2406 | - </EquivalentLatticeCandidates> | |
| 2407 | - | |
| 2408 | - </LatticeCandidate> | |
| 2409 | - | |
| 2410 | - <LatticeCandidate number="0305656"> | |
| 2411 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2412 | - | |
| 2413 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2414 | - <ReducedLatticeParameters> 3.8736e+000 6.2753e+000 2.6627e+000 9.0000e+001 1.2871e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2415 | - <OptimizedLatticeParameters> 3.8736e+000 6.2753e+000 2.6627e+000 9.0000e+001 1.2871e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2416 | - | |
| 2417 | - <VolumeOfUnitCell> 5.0506e+001 </VolumeOfUnitCell> | |
| 2418 | - <FigureOfMeritWolff name="M20"> 3.0549e+000 </FigureOfMeritWolff> | |
| 2419 | - <FigureOfMeritWu name="Mwu20"> 2.7710e+000 </FigureOfMeritWu> | |
| 2420 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0396e+000 </ReversedFigureOfMeritWolff> | |
| 2421 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.2308e+000 </SymmetricFigureOfMeritWolff> | |
| 2422 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2423 | - <NumberOfMillerIndicesInRange> 1.1500e+002 </NumberOfMillerIndicesInRange> | |
| 2424 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 2425 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2426 | - | |
| 2427 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 2428 | - | |
| 2429 | - <EquivalentLatticeCandidates> | |
| 2430 | - <LatticeCandidate> | |
| 2431 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 2432 | - <LatticeParameters> 5.9554e+000 5.9554e+000 2.5950e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 2433 | - </LatticeCandidate> | |
| 2434 | - <LatticeCandidate> | |
| 2435 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2436 | - <LatticeParameters> 2.6577e+000 3.0251e+000 3.6892e+000 1.1258e+002 1.0930e+002 9.4143e+001 </LatticeParameters> | |
| 2437 | - </LatticeCandidate> | |
| 2438 | - </EquivalentLatticeCandidates> | |
| 2439 | - | |
| 2440 | - </LatticeCandidate> | |
| 2441 | - | |
| 2442 | - <LatticeCandidate number="0307213"> | |
| 2443 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2444 | - | |
| 2445 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2446 | - <ReducedLatticeParameters> 2.0542e+000 5.4370e+000 2.1759e+000 9.0000e+001 1.0907e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2447 | - <OptimizedLatticeParameters> 2.0542e+000 5.4370e+000 2.1759e+000 9.0000e+001 1.0907e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2448 | - | |
| 2449 | - <VolumeOfUnitCell> 2.2969e+001 </VolumeOfUnitCell> | |
| 2450 | - <FigureOfMeritWolff name="M20"> 3.0192e+000 </FigureOfMeritWolff> | |
| 2451 | - <FigureOfMeritWu name="Mwu20"> 2.8862e+000 </FigureOfMeritWu> | |
| 2452 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.5312e+000 </ReversedFigureOfMeritWolff> | |
| 2453 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.6421e+000 </SymmetricFigureOfMeritWolff> | |
| 2454 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2455 | - <NumberOfMillerIndicesInRange> 5.5500e+001 </NumberOfMillerIndicesInRange> | |
| 2456 | - <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks> | |
| 2457 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2458 | - | |
| 2459 | - <NumberOfLatticesInNeighborhood> 16 </NumberOfLatticesInNeighborhood> | |
| 2460 | - | |
| 2461 | - <EquivalentLatticeCandidates> | |
| 2462 | - <LatticeCandidate> | |
| 2463 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 2464 | - <LatticeParameters> 2.2772e+000 2.2772e+000 8.1578e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 2465 | - </LatticeCandidate> | |
| 2466 | - <LatticeCandidate> | |
| 2467 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2468 | - <LatticeParameters> 2.0613e+000 2.1843e+000 2.9080e+000 8.3500e+001 6.9242e+001 7.1374e+001 </LatticeParameters> | |
| 2469 | - </LatticeCandidate> | |
| 2470 | - </EquivalentLatticeCandidates> | |
| 2471 | - | |
| 2472 | - </LatticeCandidate> | |
| 2473 | - | |
| 2474 | - | |
| 2475 | - | |
| 2476 | - <!-- Candidates for Monoclinic(P) --> | |
| 2477 | - | |
| 2478 | - <LatticeCandidate number="020724"> | |
| 2479 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 2480 | - | |
| 2481 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2482 | - <ReducedLatticeParameters> 3.3280e+000 2.2186e+000 3.3282e+000 9.0000e+001 1.0947e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2483 | - <OptimizedLatticeParameters> 3.3280e+000 2.2186e+000 3.3282e+000 9.0000e+001 1.0947e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2484 | - | |
| 2485 | - <VolumeOfUnitCell> 2.3168e+001 </VolumeOfUnitCell> | |
| 2486 | - <FigureOfMeritWolff name="M20"> 1.2713e+001 </FigureOfMeritWolff> | |
| 2487 | - <FigureOfMeritWu name="Mwu20"> 1.9056e+001 </FigureOfMeritWu> | |
| 2488 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.7121e+000 </ReversedFigureOfMeritWolff> | |
| 2489 | - <SymmetricFigureOfMeritWolff name="Msym20"> 3.4479e+001 </SymmetricFigureOfMeritWolff> | |
| 2490 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2491 | - <NumberOfMillerIndicesInRange> 1.2000e+002 </NumberOfMillerIndicesInRange> | |
| 2492 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 2493 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2494 | - | |
| 2495 | - <NumberOfLatticesInNeighborhood> 15 </NumberOfLatticesInNeighborhood> | |
| 2496 | - | |
| 2497 | - <EquivalentLatticeCandidates> | |
| 2498 | - <LatticeCandidate> | |
| 2499 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2500 | - <LatticeParameters> 5.4410e+000 3.8449e+000 2.2209e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 2501 | - </LatticeCandidate> | |
| 2502 | - </EquivalentLatticeCandidates> | |
| 2503 | - | |
| 2504 | - </LatticeCandidate> | |
| 2505 | - | |
| 2506 | - <LatticeCandidate number="020760"> | |
| 2507 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 2508 | - | |
| 2509 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2510 | - <ReducedLatticeParameters> 2.2367e+000 3.1379e+000 3.1638e+000 9.0000e+001 9.6575e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 2511 | - <OptimizedLatticeParameters> 2.2367e+000 3.1379e+000 3.1638e+000 9.0000e+001 9.6575e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 2512 | - | |
| 2513 | - <VolumeOfUnitCell> 2.2059e+001 </VolumeOfUnitCell> | |
| 2514 | - <FigureOfMeritWolff name="M20"> 8.0250e+000 </FigureOfMeritWolff> | |
| 2515 | - <FigureOfMeritWu name="Mwu20"> 8.1091e+000 </FigureOfMeritWu> | |
| 2516 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.2804e+000 </ReversedFigureOfMeritWolff> | |
| 2517 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.8301e+001 </SymmetricFigureOfMeritWolff> | |
| 2518 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2519 | - <NumberOfMillerIndicesInRange> 1.0900e+002 </NumberOfMillerIndicesInRange> | |
| 2520 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 2521 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2522 | - | |
| 2523 | - <NumberOfLatticesInNeighborhood> 28 </NumberOfLatticesInNeighborhood> | |
| 2524 | - | |
| 2525 | - <EquivalentLatticeCandidates> | |
| 2526 | - <LatticeCandidate> | |
| 2527 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2528 | - <LatticeParameters> 4.4707e+000 4.4567e+000 2.2322e+000 9.0000e+001 9.4543e+001 9.0000e+001 </LatticeParameters> | |
| 2529 | - </LatticeCandidate> | |
| 2530 | - </EquivalentLatticeCandidates> | |
| 2531 | - | |
| 2532 | - </LatticeCandidate> | |
| 2533 | - | |
| 2534 | - <LatticeCandidate number="020814"> | |
| 2535 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 2536 | - | |
| 2537 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2538 | - <ReducedLatticeParameters> 3.3280e+000 1.9214e+000 3.3281e+000 9.0000e+001 1.0948e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2539 | - <OptimizedLatticeParameters> 3.3280e+000 1.9214e+000 3.3281e+000 9.0000e+001 1.0948e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2540 | - | |
| 2541 | - <VolumeOfUnitCell> 2.0064e+001 </VolumeOfUnitCell> | |
| 2542 | - <FigureOfMeritWolff name="M20"> 4.5377e+000 </FigureOfMeritWolff> | |
| 2543 | - <FigureOfMeritWu name="Mwu20"> 1.0756e+001 </FigureOfMeritWu> | |
| 2544 | - <ReversedFigureOfMeritWolff name="Mrev20"> 7.2973e+000 </ReversedFigureOfMeritWolff> | |
| 2545 | - <SymmetricFigureOfMeritWolff name="Msym20"> 3.3113e+001 </SymmetricFigureOfMeritWolff> | |
| 2546 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2547 | - <NumberOfMillerIndicesInRange> 9.8500e+001 </NumberOfMillerIndicesInRange> | |
| 2548 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 2549 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2550 | - | |
| 2551 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 2552 | - | |
| 2553 | - <EquivalentLatticeCandidates> | |
| 2554 | - <LatticeCandidate> | |
| 2555 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2556 | - <LatticeParameters> 6.6545e+000 1.8874e+000 3.3283e+000 9.0000e+001 1.0954e+002 9.0000e+001 </LatticeParameters> | |
| 2557 | - </LatticeCandidate> | |
| 2558 | - <LatticeCandidate> | |
| 2559 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2560 | - <LatticeParameters> 3.8391e+000 5.4367e+000 1.9792e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 2561 | - </LatticeCandidate> | |
| 2562 | - <LatticeCandidate> | |
| 2563 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2564 | - <LatticeParameters> 4.2657e+000 5.4367e+000 1.8598e+000 9.0000e+001 1.1584e+002 9.0000e+001 </LatticeParameters> | |
| 2565 | - </LatticeCandidate> | |
| 2566 | - </EquivalentLatticeCandidates> | |
| 2567 | - | |
| 2568 | - </LatticeCandidate> | |
| 2569 | - | |
| 2570 | - <LatticeCandidate number="020821"> | |
| 2571 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 2572 | - | |
| 2573 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2574 | - <ReducedLatticeParameters> 2.1059e+000 3.1384e+000 3.1944e+000 9.0000e+001 1.0285e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2575 | - <OptimizedLatticeParameters> 2.1059e+000 3.1384e+000 3.1944e+000 9.0000e+001 1.0285e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2576 | - | |
| 2577 | - <VolumeOfUnitCell> 2.0584e+001 </VolumeOfUnitCell> | |
| 2578 | - <FigureOfMeritWolff name="M20"> 4.0808e+000 </FigureOfMeritWolff> | |
| 2579 | - <FigureOfMeritWu name="Mwu20"> 4.6418e+000 </FigureOfMeritWu> | |
| 2580 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.5252e+000 </ReversedFigureOfMeritWolff> | |
| 2581 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.0305e+001 </SymmetricFigureOfMeritWolff> | |
| 2582 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2583 | - <NumberOfMillerIndicesInRange> 1.0200e+002 </NumberOfMillerIndicesInRange> | |
| 2584 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 2585 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2586 | - | |
| 2587 | - <NumberOfLatticesInNeighborhood> 40 </NumberOfLatticesInNeighborhood> | |
| 2588 | - | |
| 2589 | - <EquivalentLatticeCandidates> | |
| 2590 | - <LatticeCandidate> | |
| 2591 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2592 | - <LatticeParameters> 6.2299e+000 2.0904e+000 3.1297e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 2593 | - </LatticeCandidate> | |
| 2594 | - <LatticeCandidate> | |
| 2595 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2596 | - <LatticeParameters> 4.4730e+000 4.4156e+000 2.0747e+000 9.0000e+001 9.9193e+001 9.0000e+001 </LatticeParameters> | |
| 2597 | - </LatticeCandidate> | |
| 2598 | - </EquivalentLatticeCandidates> | |
| 2599 | - | |
| 2600 | - </LatticeCandidate> | |
| 2601 | - | |
| 2602 | - <LatticeCandidate number="020968"> | |
| 2603 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 2604 | - | |
| 2605 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2606 | - <ReducedLatticeParameters> 2.2805e+000 3.1505e+000 2.4181e+000 9.0000e+001 1.1004e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2607 | - <OptimizedLatticeParameters> 2.2805e+000 3.1505e+000 2.4181e+000 9.0000e+001 1.1004e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2608 | - | |
| 2609 | - <VolumeOfUnitCell> 1.6321e+001 </VolumeOfUnitCell> | |
| 2610 | - <FigureOfMeritWolff name="M20"> 3.5226e+000 </FigureOfMeritWolff> | |
| 2611 | - <FigureOfMeritWu name="Mwu20"> 3.2429e+000 </FigureOfMeritWu> | |
| 2612 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0931e+000 </ReversedFigureOfMeritWolff> | |
| 2613 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.3731e+000 </SymmetricFigureOfMeritWolff> | |
| 2614 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2615 | - <NumberOfMillerIndicesInRange> 8.2000e+001 </NumberOfMillerIndicesInRange> | |
| 2616 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2617 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2618 | - | |
| 2619 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 2620 | - | |
| 2621 | - <EquivalentLatticeCandidates> | |
| 2622 | - </EquivalentLatticeCandidates> | |
| 2623 | - | |
| 2624 | - </LatticeCandidate> | |
| 2625 | - | |
| 2626 | - <LatticeCandidate number="020905"> | |
| 2627 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 2628 | - | |
| 2629 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2630 | - <ReducedLatticeParameters> 2.2958e+000 3.1364e+000 2.6474e+000 9.0000e+001 1.0337e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2631 | - <OptimizedLatticeParameters> 2.2958e+000 3.1364e+000 2.6474e+000 9.0000e+001 1.0337e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2632 | - | |
| 2633 | - <VolumeOfUnitCell> 1.8546e+001 </VolumeOfUnitCell> | |
| 2634 | - <FigureOfMeritWolff name="M20"> 3.4642e+000 </FigureOfMeritWolff> | |
| 2635 | - <FigureOfMeritWu name="Mwu20"> 2.9642e+000 </FigureOfMeritWu> | |
| 2636 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1078e+000 </ReversedFigureOfMeritWolff> | |
| 2637 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.3018e+000 </SymmetricFigureOfMeritWolff> | |
| 2638 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2639 | - <NumberOfMillerIndicesInRange> 9.0000e+001 </NumberOfMillerIndicesInRange> | |
| 2640 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 2641 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2642 | - | |
| 2643 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 2644 | - | |
| 2645 | - <EquivalentLatticeCandidates> | |
| 2646 | - <LatticeCandidate> | |
| 2647 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2648 | - <LatticeParameters> 2.2524e+000 5.1458e+000 3.1491e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 2649 | - </LatticeCandidate> | |
| 2650 | - <LatticeCandidate> | |
| 2651 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2652 | - <LatticeParameters> 2.1616e+000 6.2982e+000 2.6362e+000 9.0000e+001 1.0258e+002 9.0000e+001 </LatticeParameters> | |
| 2653 | - </LatticeCandidate> | |
| 2654 | - </EquivalentLatticeCandidates> | |
| 2655 | - | |
| 2656 | - </LatticeCandidate> | |
| 2657 | - | |
| 2658 | - <LatticeCandidate number="020910"> | |
| 2659 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 2660 | - | |
| 2661 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2662 | - <ReducedLatticeParameters> 2.4330e+000 2.4309e+000 3.2951e+000 9.0000e+001 1.0785e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2663 | - <OptimizedLatticeParameters> 2.4330e+000 2.4309e+000 3.2951e+000 9.0000e+001 1.0785e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2664 | - | |
| 2665 | - <VolumeOfUnitCell> 1.8550e+001 </VolumeOfUnitCell> | |
| 2666 | - <FigureOfMeritWolff name="M20"> 3.3497e+000 </FigureOfMeritWolff> | |
| 2667 | - <FigureOfMeritWu name="Mwu20"> 3.5070e+000 </FigureOfMeritWu> | |
| 2668 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.9920e+000 </ReversedFigureOfMeritWolff> | |
| 2669 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.6726e+000 </SymmetricFigureOfMeritWolff> | |
| 2670 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2671 | - <NumberOfMillerIndicesInRange> 9.5500e+001 </NumberOfMillerIndicesInRange> | |
| 2672 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 2673 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2674 | - | |
| 2675 | - <NumberOfLatticesInNeighborhood> 4 </NumberOfLatticesInNeighborhood> | |
| 2676 | - | |
| 2677 | - <EquivalentLatticeCandidates> | |
| 2678 | - </EquivalentLatticeCandidates> | |
| 2679 | - | |
| 2680 | - </LatticeCandidate> | |
| 2681 | - | |
| 2682 | - <LatticeCandidate number="020784"> | |
| 2683 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 2684 | - | |
| 2685 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2686 | - <ReducedLatticeParameters> 3.2952e+000 2.0539e+000 3.3351e+000 9.0000e+001 1.0974e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 2687 | - <OptimizedLatticeParameters> 3.2952e+000 2.0539e+000 3.3351e+000 9.0000e+001 1.0974e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 2688 | - | |
| 2689 | - <VolumeOfUnitCell> 2.1245e+001 </VolumeOfUnitCell> | |
| 2690 | - <FigureOfMeritWolff name="M20"> 3.2320e+000 </FigureOfMeritWolff> | |
| 2691 | - <FigureOfMeritWu name="Mwu20"> 3.9204e+000 </FigureOfMeritWu> | |
| 2692 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.7464e+000 </ReversedFigureOfMeritWolff> | |
| 2693 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.8765e+000 </SymmetricFigureOfMeritWolff> | |
| 2694 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2695 | - <NumberOfMillerIndicesInRange> 1.1250e+002 </NumberOfMillerIndicesInRange> | |
| 2696 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 2697 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2698 | - | |
| 2699 | - <NumberOfLatticesInNeighborhood> 21 </NumberOfLatticesInNeighborhood> | |
| 2700 | - | |
| 2701 | - <EquivalentLatticeCandidates> | |
| 2702 | - <LatticeCandidate> | |
| 2703 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2704 | - <LatticeParameters> 3.8165e+000 5.4305e+000 2.0540e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 2705 | - </LatticeCandidate> | |
| 2706 | - </EquivalentLatticeCandidates> | |
| 2707 | - | |
| 2708 | - </LatticeCandidate> | |
| 2709 | - | |
| 2710 | - | |
| 2711 | - | |
| 2712 | - <!-- Candidates for Triclinic --> | |
| 2713 | - | |
| 2714 | - <LatticeCandidate number="0102261"> | |
| 2715 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2716 | - | |
| 2717 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2718 | - <ReducedLatticeParameters> 2.0742e+000 2.0977e+000 3.2960e+000 1.0682e+002 9.1051e+001 1.0582e+002 </ReducedLatticeParameters> | |
| 2719 | - <OptimizedLatticeParameters> 2.0977e+000 2.0742e+000 3.3559e+000 7.9139e+001 7.0072e+001 7.4180e+001 </OptimizedLatticeParameters> | |
| 2720 | - | |
| 2721 | - <VolumeOfUnitCell> 1.3134e+001 </VolumeOfUnitCell> | |
| 2722 | - <FigureOfMeritWolff name="M20"> 5.7710e+000 </FigureOfMeritWolff> | |
| 2723 | - <FigureOfMeritWu name="Mwu20"> 6.6050e+000 </FigureOfMeritWu> | |
| 2724 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1599e+000 </ReversedFigureOfMeritWolff> | |
| 2725 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.2465e+001 </SymmetricFigureOfMeritWolff> | |
| 2726 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2727 | - <NumberOfMillerIndicesInRange> 1.1200e+002 </NumberOfMillerIndicesInRange> | |
| 2728 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 2729 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2730 | - | |
| 2731 | - <NumberOfLatticesInNeighborhood> 11 </NumberOfLatticesInNeighborhood> | |
| 2732 | - | |
| 2733 | - <EquivalentLatticeCandidates> | |
| 2734 | - <LatticeCandidate> | |
| 2735 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2736 | - <LatticeParameters> 2.0979e+000 6.2828e+000 2.0636e+000 9.0000e+001 1.0578e+002 9.0000e+001 </LatticeParameters> | |
| 2737 | - </LatticeCandidate> | |
| 2738 | - </EquivalentLatticeCandidates> | |
| 2739 | - | |
| 2740 | - </LatticeCandidate> | |
| 2741 | - | |
| 2742 | - <LatticeCandidate number="0102206"> | |
| 2743 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2744 | - | |
| 2745 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2746 | - <ReducedLatticeParameters> 2.0052e+000 2.3355e+000 3.2911e+000 7.2412e+001 8.5130e+001 7.3393e+001 </ReducedLatticeParameters> | |
| 2747 | - <OptimizedLatticeParameters> 2.0052e+000 2.3355e+000 3.2911e+000 1.0759e+002 8.5130e+001 1.0661e+002 </OptimizedLatticeParameters> | |
| 2748 | - | |
| 2749 | - <VolumeOfUnitCell> 1.4079e+001 </VolumeOfUnitCell> | |
| 2750 | - <FigureOfMeritWolff name="M20"> 4.5323e+000 </FigureOfMeritWolff> | |
| 2751 | - <FigureOfMeritWu name="Mwu20"> 5.2554e+000 </FigureOfMeritWu> | |
| 2752 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.9566e+000 </ReversedFigureOfMeritWolff> | |
| 2753 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.8676e+000 </SymmetricFigureOfMeritWolff> | |
| 2754 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2755 | - <NumberOfMillerIndicesInRange> 1.2000e+002 </NumberOfMillerIndicesInRange> | |
| 2756 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2757 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2758 | - | |
| 2759 | - <NumberOfLatticesInNeighborhood> 7 </NumberOfLatticesInNeighborhood> | |
| 2760 | - | |
| 2761 | - <EquivalentLatticeCandidates> | |
| 2762 | - </EquivalentLatticeCandidates> | |
| 2763 | - | |
| 2764 | - </LatticeCandidate> | |
| 2765 | - | |
| 2766 | - <LatticeCandidate number="0102294"> | |
| 2767 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2768 | - | |
| 2769 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2770 | - <ReducedLatticeParameters> 2.1255e+000 2.3791e+000 2.8183e+000 9.0405e+001 1.0425e+002 1.1036e+002 </ReducedLatticeParameters> | |
| 2771 | - <OptimizedLatticeParameters> 2.1255e+000 2.3791e+000 2.8183e+000 9.0405e+001 1.0425e+002 1.1036e+002 </OptimizedLatticeParameters> | |
| 2772 | - | |
| 2773 | - <VolumeOfUnitCell> 1.2882e+001 </VolumeOfUnitCell> | |
| 2774 | - <FigureOfMeritWolff name="M20"> 4.5200e+000 </FigureOfMeritWolff> | |
| 2775 | - <FigureOfMeritWu name="Mwu20"> 5.3578e+000 </FigureOfMeritWu> | |
| 2776 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.2301e+000 </ReversedFigureOfMeritWolff> | |
| 2777 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.0080e+001 </SymmetricFigureOfMeritWolff> | |
| 2778 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2779 | - <NumberOfMillerIndicesInRange> 1.0600e+002 </NumberOfMillerIndicesInRange> | |
| 2780 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 2781 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2782 | - | |
| 2783 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 2784 | - | |
| 2785 | - <EquivalentLatticeCandidates> | |
| 2786 | - </EquivalentLatticeCandidates> | |
| 2787 | - | |
| 2788 | - </LatticeCandidate> | |
| 2789 | - | |
| 2790 | - <LatticeCandidate number="0102216"> | |
| 2791 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2792 | - | |
| 2793 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2794 | - <ReducedLatticeParameters> 2.0283e+000 2.2928e+000 3.1927e+000 8.0159e+001 8.9475e+001 7.1642e+001 </ReducedLatticeParameters> | |
| 2795 | - <OptimizedLatticeParameters> 2.0283e+000 2.2928e+000 3.1927e+000 9.9841e+001 8.9475e+001 1.0836e+002 </OptimizedLatticeParameters> | |
| 2796 | - | |
| 2797 | - <VolumeOfUnitCell> 1.3868e+001 </VolumeOfUnitCell> | |
| 2798 | - <FigureOfMeritWolff name="M20"> 3.3746e+000 </FigureOfMeritWolff> | |
| 2799 | - <FigureOfMeritWu name="Mwu20"> 3.5706e+000 </FigureOfMeritWu> | |
| 2800 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0985e+000 </ReversedFigureOfMeritWolff> | |
| 2801 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.0816e+000 </SymmetricFigureOfMeritWolff> | |
| 2802 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2803 | - <NumberOfMillerIndicesInRange> 1.1600e+002 </NumberOfMillerIndicesInRange> | |
| 2804 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 2805 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2806 | - | |
| 2807 | - <NumberOfLatticesInNeighborhood> 13 </NumberOfLatticesInNeighborhood> | |
| 2808 | - | |
| 2809 | - <EquivalentLatticeCandidates> | |
| 2810 | - </EquivalentLatticeCandidates> | |
| 2811 | - | |
| 2812 | - </LatticeCandidate> | |
| 2813 | - | |
| 2814 | - | |
| 2815 | - </ConographOutput> | |
| 2816 | -</ZCodeParameters> |
| @@ -1,117 +0,0 @@ | ||
| 1 | -<ZCodeParameters> | |
| 2 | - <ConographParameters> | |
| 3 | - <!-- Parameters for the diffractometer.--> | |
| 4 | - <IsAngleDispersion> | |
| 5 | - <!-- 0:time-of-flight, 1:angle dispersion--> | |
| 6 | - 1 | |
| 7 | - </IsAngleDispersion> | |
| 8 | - | |
| 9 | - <ZeroPointShiftParameter> | |
| 10 | - <!-- zero point shift parameter for angle dispersion : Z(deg.). --> | |
| 11 | - 0.0 | |
| 12 | - </ZeroPointShiftParameter> | |
| 13 | - <WaveLength> | |
| 14 | - <!-- Wave length(angstrom) for angle dispersion. --> | |
| 15 | - 0.65298 | |
| 16 | - </WaveLength> | |
| 17 | - | |
| 18 | - <!-- Parameters for search.--> | |
| 19 | - <SearchLevel> | |
| 20 | - <!-- 0:quick search (suitable for unit cells with high symmetries.), | |
| 21 | - 1:regular search (suitable for unit cells with low symmetries.).--> | |
| 22 | - 1 | |
| 23 | - </SearchLevel> | |
| 24 | - | |
| 25 | - <MaxNumberOfPeaks> | |
| 26 | - <!-- Number of peaks used for calculation.--> | |
| 27 | - AUTO | |
| 28 | - </MaxNumberOfPeaks> | |
| 29 | - | |
| 30 | - <CriticalValueForLinearSum> | |
| 31 | - <!-- The criterion c to judge if a linear sum of Q equals zero. ( abs(\sigma_i Q_i) <= c * Err<\sigma_i Q_i> ) --> | |
| 32 | - 1.0 | |
| 33 | - </CriticalValueForLinearSum> | |
| 34 | - | |
| 35 | - <MinPrimitiveUnitCellVolume> | |
| 36 | - <!-- Lower threshold for the volume of primitive unit-cell (A^3) --> | |
| 37 | - AUTO | |
| 38 | - </MinPrimitiveUnitCellVolume> | |
| 39 | - | |
| 40 | - <MaxPrimitiveUnitCellVolume> | |
| 41 | - <!-- Upper threshold for the volume of primitive unit-cell (A^3) --> | |
| 42 | - AUTO | |
| 43 | - </MaxPrimitiveUnitCellVolume> | |
| 44 | - | |
| 45 | - <MaxNumberOfTwoDimTopographs> | |
| 46 | - <!-- Upper threshold for the number of quadruples (q1,q2,q3,q4) taken from selected topographs.--> | |
| 47 | - AUTO | |
| 48 | - </MaxNumberOfTwoDimTopographs> | |
| 49 | - | |
| 50 | - <MaxNumberOfLatticeCandidates> | |
| 51 | - <!-- Upper threshold for the number of (triclinic) solutions. --> | |
| 52 | - AUTO | |
| 53 | - </MaxNumberOfLatticeCandidates> | |
| 54 | - | |
| 55 | - <!-- Bravais lattice determination --> | |
| 56 | - <!--Output unit cells belonging to the Bravai type? (0:No, 1:Yes)--> | |
| 57 | - <OutputTriclinic> 1 </OutputTriclinic> | |
| 58 | - <OutputMonoclinicP> 1 </OutputMonoclinicP> | |
| 59 | - <OutputMonoclinicB> 1 </OutputMonoclinicB> | |
| 60 | - <OutputOrthorhombicP> 1 </OutputOrthorhombicP> | |
| 61 | - <OutputOrthorhombicC> 1 </OutputOrthorhombicC> | |
| 62 | - <OutputOrthorhombicI> 1 </OutputOrthorhombicI> | |
| 63 | - <OutputOrthorhombicF> 1 </OutputOrthorhombicF> | |
| 64 | - <OutputTetragonalP> 1 </OutputTetragonalP> | |
| 65 | - <OutputTetragonalI> 1 </OutputTetragonalI> | |
| 66 | - <OutputRhombohedral> 1 </OutputRhombohedral> | |
| 67 | - <OutputHexagonal> 1 </OutputHexagonal> | |
| 68 | - <OutputCubicP> 1 </OutputCubicP> | |
| 69 | - <OutputCubicI> 1 </OutputCubicI> | |
| 70 | - <OutputCubicF> 1 </OutputCubicF> | |
| 71 | - | |
| 72 | - <!-- Parameters for output.--> | |
| 73 | - <Resolution> | |
| 74 | - <!-- Relative resolution of d^* = 1/d-values. | |
| 75 | - This value is used for detection of almost identical unit cells.--> | |
| 76 | - 0.03 | |
| 77 | - </Resolution> | |
| 78 | - | |
| 79 | - <MaxNumberOfPeaksForFOM> | |
| 80 | - <!-- Number n of peaks used to calculate figures of Merit.--> | |
| 81 | - 20 | |
| 82 | - </MaxNumberOfPeaksForFOM> | |
| 83 | - | |
| 84 | - <MinFOM> | |
| 85 | - <!-- Any indexing solution is output if its value of de Wolff figure of merit M_n is greater than the following value.--> | |
| 86 | - 3.0 | |
| 87 | - </MinFOM> | |
| 88 | - | |
| 89 | - <!-- Lower and upper thresholds for the number of distinct computed lines hkl within the range of the first-to-n'th observed lines.--> | |
| 90 | - <MinNumberOfMillerIndicesInRange> AUTO </MinNumberOfMillerIndicesInRange> | |
| 91 | - <MaxNumberOfMillerIndicesInRange> AUTO </MaxNumberOfMillerIndicesInRange> | |
| 92 | - | |
| 93 | - <!-- Lower and upper thresholds for the unit cell parameters a, b, c (angstrom).--> | |
| 94 | - <MinUnitCellEdgeABC> 0.0 </MinUnitCellEdgeABC> | |
| 95 | - <MaxUnitCellEdgeABC> 1000.0 </MaxUnitCellEdgeABC> | |
| 96 | - | |
| 97 | - <!-- Configuration parameters.--> | |
| 98 | - <NumberOfThreadsToUse> | |
| 99 | - MAX | |
| 100 | - </NumberOfThreadsToUse> | |
| 101 | - <AxisForRhombohedralSymmetry> <!-- "Rhombohedral" or "Hexagonal" --> | |
| 102 | - Hexagonal | |
| 103 | - </AxisForRhombohedralSymmetry> | |
| 104 | - <AxisForMonoclinicSymmetry> <!-- "A", "B", or "C" --> | |
| 105 | - B | |
| 106 | - </AxisForMonoclinicSymmetry> | |
| 107 | - <ThresholdOnNormM> <!-- Solutions having M^{Wu} less than this value are removed before Bravais lattice determination --> | |
| 108 | - 1.9 | |
| 109 | - </ThresholdOnNormM> | |
| 110 | - <ThresholdOnRevM> <!-- Solutions having M^{Rev} less than this value are removed before Bravais lattice determination --> | |
| 111 | - 1.0 | |
| 112 | - </ThresholdOnRevM> | |
| 113 | - <MinDistanceBetweenLatticePoints> | |
| 114 | - 2.0 | |
| 115 | - </MinDistanceBetweenLatticePoints> | |
| 116 | - </ConographParameters> | |
| 117 | -</ZCodeParameters> |
| @@ -1,12 +0,0 @@ | ||
| 1 | -<ZCodeParameters> | |
| 2 | - <ConographInputFile> | |
| 3 | - <!-- Control parameters for calculation.--> | |
| 4 | - <ControlParamFile> sample5.inp.xml </ControlParamFile> | |
| 5 | - | |
| 6 | - <!-- Peak-position data.--> | |
| 7 | - <PeakDataFile> sample5_pks.histogramIgor </PeakDataFile> | |
| 8 | - | |
| 9 | - <!-- Output file --> | |
| 10 | - <OutputFile> output/sample5.index.xml </OutputFile> | |
| 11 | - </ConographInputFile> | |
| 12 | -</ZCodeParameters> |
| @@ -1,117 +0,0 @@ | ||
| 1 | -<ZCodeParameters> | |
| 2 | - <ConographParameters> | |
| 3 | - <!-- Parameters for the diffractometer.--> | |
| 4 | - <IsAngleDispersion> | |
| 5 | - <!-- 0:time-of-flight, 1:angle dispersion--> | |
| 6 | - 1 | |
| 7 | - </IsAngleDispersion> | |
| 8 | - | |
| 9 | - <ZeroPointShiftParameter> | |
| 10 | - <!-- zero point shift parameter for angle dispersion : Z(deg.). --> | |
| 11 | - 0.0 | |
| 12 | - </ZeroPointShiftParameter> | |
| 13 | - <WaveLength> | |
| 14 | - <!-- Wave length(angstrom) for angle dispersion. --> | |
| 15 | - 0.79776 | |
| 16 | - </WaveLength> | |
| 17 | - | |
| 18 | - <!-- Parameters for search.--> | |
| 19 | - <SearchLevel> | |
| 20 | - <!-- 0:quick search (suitable for unit cells with high symmetries.), | |
| 21 | - 1:regular search (suitable for unit cells with low symmetries.).--> | |
| 22 | - 1 | |
| 23 | - </SearchLevel> | |
| 24 | - | |
| 25 | - <MaxNumberOfPeaks> | |
| 26 | - <!-- Number of peaks used for calculation.--> | |
| 27 | - AUTO | |
| 28 | - </MaxNumberOfPeaks> | |
| 29 | - | |
| 30 | - <CriticalValueForLinearSum> | |
| 31 | - <!-- The criterion c to judge if a linear sum of Q equals zero. ( abs(\sigma_i Q_i) <= c * Err<\sigma_i Q_i> ) --> | |
| 32 | - 1.0 | |
| 33 | - </CriticalValueForLinearSum> | |
| 34 | - | |
| 35 | - <MinPrimitiveUnitCellVolume> | |
| 36 | - <!-- Lower threshold for the volume of primitive unit-cell (A^3) --> | |
| 37 | - AUTO | |
| 38 | - </MinPrimitiveUnitCellVolume> | |
| 39 | - | |
| 40 | - <MaxPrimitiveUnitCellVolume> | |
| 41 | - <!-- Upper threshold for the volume of primitive unit-cell (A^3) --> | |
| 42 | - AUTO | |
| 43 | - </MaxPrimitiveUnitCellVolume> | |
| 44 | - | |
| 45 | - <MaxNumberOfTwoDimTopographs> | |
| 46 | - <!-- Upper threshold for the number of quadruples (q1,q2,q3,q4) taken from selected topographs.--> | |
| 47 | - AUTO | |
| 48 | - </MaxNumberOfTwoDimTopographs> | |
| 49 | - | |
| 50 | - <MaxNumberOfLatticeCandidates> | |
| 51 | - <!-- Upper threshold for the number of (triclinic) solutions. --> | |
| 52 | - AUTO | |
| 53 | - </MaxNumberOfLatticeCandidates> | |
| 54 | - | |
| 55 | - <!-- Bravais lattice determination --> | |
| 56 | - <!--Output unit cells belonging to the Bravai type? (0:No, 1:Yes)--> | |
| 57 | - <OutputTriclinic> 1 </OutputTriclinic> | |
| 58 | - <OutputMonoclinicP> 1 </OutputMonoclinicP> | |
| 59 | - <OutputMonoclinicB> 1 </OutputMonoclinicB> | |
| 60 | - <OutputOrthorhombicP> 1 </OutputOrthorhombicP> | |
| 61 | - <OutputOrthorhombicC> 1 </OutputOrthorhombicC> | |
| 62 | - <OutputOrthorhombicI> 1 </OutputOrthorhombicI> | |
| 63 | - <OutputOrthorhombicF> 1 </OutputOrthorhombicF> | |
| 64 | - <OutputTetragonalP> 1 </OutputTetragonalP> | |
| 65 | - <OutputTetragonalI> 1 </OutputTetragonalI> | |
| 66 | - <OutputRhombohedral> 1 </OutputRhombohedral> | |
| 67 | - <OutputHexagonal> 1 </OutputHexagonal> | |
| 68 | - <OutputCubicP> 1 </OutputCubicP> | |
| 69 | - <OutputCubicI> 1 </OutputCubicI> | |
| 70 | - <OutputCubicF> 1 </OutputCubicF> | |
| 71 | - | |
| 72 | - <!-- Parameters for output.--> | |
| 73 | - <Resolution> | |
| 74 | - <!-- Relative resolution of d^* = 1/d-values. | |
| 75 | - This value is used for detection of almost identical unit cells.--> | |
| 76 | - 0.03 | |
| 77 | - </Resolution> | |
| 78 | - | |
| 79 | - <MaxNumberOfPeaksForFOM> | |
| 80 | - <!-- Number n of peaks used to calculate figures of Merit.--> | |
| 81 | - 30 | |
| 82 | - </MaxNumberOfPeaksForFOM> | |
| 83 | - | |
| 84 | - <MinFOM> | |
| 85 | - <!-- Any indexing solution is output if its value of de Wolff figure of merit M_n is greater than the following value.--> | |
| 86 | - 3.0 | |
| 87 | - </MinFOM> | |
| 88 | - | |
| 89 | - <!-- Lower and upper thresholds for the number of distinct computed lines hkl within the range of the first-to-n'th observed lines.--> | |
| 90 | - <MinNumberOfMillerIndicesInRange> AUTO </MinNumberOfMillerIndicesInRange> | |
| 91 | - <MaxNumberOfMillerIndicesInRange> AUTO </MaxNumberOfMillerIndicesInRange> | |
| 92 | - | |
| 93 | - <!-- Lower and upper thresholds for the unit cell parameters a, b, c (angstrom).--> | |
| 94 | - <MinUnitCellEdgeABC> 0.0 </MinUnitCellEdgeABC> | |
| 95 | - <MaxUnitCellEdgeABC> 1000.0 </MaxUnitCellEdgeABC> | |
| 96 | - | |
| 97 | - <!-- Configuration parameters.--> | |
| 98 | - <NumberOfThreadsToUse> | |
| 99 | - MAX | |
| 100 | - </NumberOfThreadsToUse> | |
| 101 | - <AxisForRhombohedralSymmetry> <!-- "Rhombohedral" or "Hexagonal" --> | |
| 102 | - Hexagonal | |
| 103 | - </AxisForRhombohedralSymmetry> | |
| 104 | - <AxisForMonoclinicSymmetry> <!-- "A", "B", or "C" --> | |
| 105 | - B | |
| 106 | - </AxisForMonoclinicSymmetry> | |
| 107 | - <ThresholdOnNormM> <!-- Solutions having M^{Wu} less than this value are removed before Bravais lattice determination --> | |
| 108 | - 1.9 | |
| 109 | - </ThresholdOnNormM> | |
| 110 | - <ThresholdOnRevM> <!-- Solutions having M^{Rev} less than this value are removed before Bravais lattice determination --> | |
| 111 | - 1.0 | |
| 112 | - </ThresholdOnRevM> | |
| 113 | - <MinDistanceBetweenLatticePoints> | |
| 114 | - 2.0 | |
| 115 | - </MinDistanceBetweenLatticePoints> | |
| 116 | - </ConographParameters> | |
| 117 | -</ZCodeParameters> |
| @@ -1,12 +0,0 @@ | ||
| 1 | -<ZCodeParameters> | |
| 2 | - <ConographInputFile> | |
| 3 | - <!-- Control parameters for calculation.--> | |
| 4 | - <ControlParamFile> sample6.inp.xml </ControlParamFile> | |
| 5 | - | |
| 6 | - <!-- Peak-position data.--> | |
| 7 | - <PeakDataFile> sample6_pks.histogramIgor </PeakDataFile> | |
| 8 | - | |
| 9 | - <!-- Output file --> | |
| 10 | - <OutputFile> output/sample6.index.xml </OutputFile> | |
| 11 | - </ConographInputFile> | |
| 12 | -</ZCodeParameters> |
| @@ -1,26142 +0,0 @@ | ||
| 1 | -<?xml version="1.0" encoding="UTF-8" ?> | |
| 2 | -<ZCodeParameters> | |
| 3 | - <ConographOutput> | |
| 4 | - <!-- Information on the best M solution for each Bravais type. | |
| 5 | - TNB : total number of solutions of the Bravais types, | |
| 6 | - M : de Wolff figure of merit, | |
| 7 | - Mwu : Wu figure of merit, | |
| 8 | - Mrev : reversed de Wolff figure of merit, | |
| 9 | - Msym : symmetric de Wolff figure of merit, | |
| 10 | - NN : number of lattices in the neighborhood, | |
| 11 | - VOL : unit-cell volume. | |
| 12 | - Bravais Lattice : TNB, M, Mwu, Mrev, Msym, NN, VOL | |
| 13 | - Cubic(F) : 0 | |
| 14 | - Cubic(I) : 0 | |
| 15 | - Cubic(P) : 0 | |
| 16 | - Hexagonal : 0 | |
| 17 | - Rhombohedral : 1 3.0005e+000 2.2887e+000 1.5494e+000 4.6490e+000 9 9.6347e+003 | |
| 18 | - Tetragonal(I) : 0 | |
| 19 | - Tetragonal(P) : 0 | |
| 20 | - Orthorhombic(F) : 3 3.2590e+000 2.8266e+000 1.7964e+000 5.8545e+000 11 1.2554e+004 | |
| 21 | - Orthorhombic(I) : 0 | |
| 22 | - Orthorhombic(C) : 2 3.1948e+000 2.7528e+000 2.4939e+000 7.9675e+000 1 1.9184e+003 | |
| 23 | - Orthorhombic(P) : 2 3.1050e+000 3.1954e+000 2.1416e+000 6.6496e+000 1 1.3357e+003 | |
| 24 | - Monoclinic(B) : 21 4.2346e+000 3.4908e+000 2.5311e+000 1.0718e+001 0 1.6235e+003 | |
| 25 | - Monoclinic(P) : 11 2.7514e+002 2.0636e+002 3.8134e+000 1.0492e+003 16 8.1561e+002 | |
| 26 | - Triclinic : 738 2.2124e+002 2.7497e+002 6.0387e+000 1.3360e+003 16 8.1563e+002 | |
| 27 | - --> | |
| 28 | - | |
| 29 | - <!-- Labels of the solution with the best figure of merit. | |
| 30 | - Cubic(F), Best Score : Lattice constants, label. | |
| 31 | - M = - - : - - | |
| 32 | - Mwu = - - : - - | |
| 33 | - Mrev = - - : - - | |
| 34 | - Msym = - - : - - | |
| 35 | - NN = - - : - - | |
| 36 | - | |
| 37 | - Cubic(I), Best Score : Lattice constants, label. | |
| 38 | - M = - - : - - | |
| 39 | - Mwu = - - : - - | |
| 40 | - Mrev = - - : - - | |
| 41 | - Msym = - - : - - | |
| 42 | - NN = - - : - - | |
| 43 | - | |
| 44 | - Cubic(P), Best Score : Lattice constants, label. | |
| 45 | - M = - - : - - | |
| 46 | - Mwu = - - : - - | |
| 47 | - Mrev = - - : - - | |
| 48 | - Msym = - - : - - | |
| 49 | - NN = - - : - - | |
| 50 | - | |
| 51 | - Hexagonal, Best Score : Lattice constants, label. | |
| 52 | - M = - - : - - | |
| 53 | - Mwu = - - : - - | |
| 54 | - Mrev = - - : - - | |
| 55 | - Msym = - - : - - | |
| 56 | - NN = - - : - - | |
| 57 | - | |
| 58 | - Rhombohedral, Best Score : Lattice constants, label. | |
| 59 | - M = 3.0005e+000 : 5.1339e+001 5.1339e+001 4.2211e+000 9.0000e+001 9.0000e+001 1.2000e+002 1006000 | |
| 60 | - Mwu = 2.2887e+000 : 5.1339e+001 5.1339e+001 4.2211e+000 9.0000e+001 9.0000e+001 1.2000e+002 1006000 | |
| 61 | - Mrev = 1.5494e+000 : 5.1339e+001 5.1339e+001 4.2211e+000 9.0000e+001 9.0000e+001 1.2000e+002 1006000 | |
| 62 | - Msym = 4.6490e+000 : 5.1339e+001 5.1339e+001 4.2211e+000 9.0000e+001 9.0000e+001 1.2000e+002 1006000 | |
| 63 | - NN = 9 : 5.1339e+001 5.1339e+001 4.2211e+000 9.0000e+001 9.0000e+001 1.2000e+002 1006000 | |
| 64 | - | |
| 65 | - Tetragonal(I), Best Score : Lattice constants, label. | |
| 66 | - M = - - : - - | |
| 67 | - Mwu = - - : - - | |
| 68 | - Mrev = - - : - - | |
| 69 | - Msym = - - : - - | |
| 70 | - NN = - - : - - | |
| 71 | - | |
| 72 | - Tetragonal(P), Best Score : Lattice constants, label. | |
| 73 | - M = - - : - - | |
| 74 | - Mwu = - - : - - | |
| 75 | - Mrev = - - : - - | |
| 76 | - Msym = - - : - - | |
| 77 | - NN = - - : - - | |
| 78 | - | |
| 79 | - Orthorhombic(F), Best Score : Lattice constants, label. | |
| 80 | - M = 3.2590e+000 : 2.1201e+001 2.1897e+001 2.7044e+001 9.0000e+001 9.0000e+001 9.0000e+001 0702278 | |
| 81 | - Mwu = 2.9146e+000 : 1.0080e+001 1.0257e+001 8.8763e+001 9.0000e+001 9.0000e+001 9.0000e+001 0703052 | |
| 82 | - Mrev = 1.8249e+000 : 4.2412e+000 3.1577e+001 3.9316e+001 9.0000e+001 9.0000e+001 9.0000e+001 0704764 | |
| 83 | - Msym = 5.8545e+000 : 2.1201e+001 2.1897e+001 2.7044e+001 9.0000e+001 9.0000e+001 9.0000e+001 0702278 | |
| 84 | - NN = 11 : 2.1201e+001 2.1897e+001 2.7044e+001 9.0000e+001 9.0000e+001 9.0000e+001 0702278 | |
| 85 | - | |
| 86 | - Orthorhombic(I), Best Score : Lattice constants, label. | |
| 87 | - M = - - : - - | |
| 88 | - Mwu = - - : - - | |
| 89 | - Mrev = - - : - - | |
| 90 | - Msym = - - : - - | |
| 91 | - NN = - - : - - | |
| 92 | - | |
| 93 | - Orthorhombic(C), Best Score : Lattice constants, label. | |
| 94 | - M = 3.1948e+000 : 3.4455e+000 3.0447e+001 1.8287e+001 9.0000e+001 9.0000e+001 9.0000e+001 0501161 | |
| 95 | - Mwu = 2.7528e+000 : 3.4455e+000 3.0447e+001 1.8287e+001 9.0000e+001 9.0000e+001 9.0000e+001 0501161 | |
| 96 | - Mrev = 3.0194e+000 : 3.5729e+000 1.6671e+001 2.4610e+001 9.0000e+001 9.0000e+001 9.0000e+001 0501271 | |
| 97 | - Msym = 9.2104e+000 : 3.5729e+000 1.6671e+001 2.4610e+001 9.0000e+001 9.0000e+001 9.0000e+001 0501271 | |
| 98 | - NN = 14 : 3.5732e+000 1.6669e+001 2.4598e+001 9.0000e+001 9.0000e+001 9.0000e+001 0501273 | |
| 99 | - | |
| 100 | - Orthorhombic(P), Best Score : Lattice constants, label. | |
| 101 | - M = 3.1050e+000 : 4.7711e+000 1.5211e+001 1.8405e+001 9.0000e+001 9.0000e+001 9.0000e+001 0402932 | |
| 102 | - Mwu = 3.1954e+000 : 4.7711e+000 1.5211e+001 1.8405e+001 9.0000e+001 9.0000e+001 9.0000e+001 0402932 | |
| 103 | - Mrev = 2.4237e+000 : 3.0761e+000 1.5094e+001 3.7493e+001 9.0000e+001 9.0000e+001 9.0000e+001 0402442 | |
| 104 | - Msym = 7.2737e+000 : 3.0761e+000 1.5094e+001 3.7493e+001 9.0000e+001 9.0000e+001 9.0000e+001 0402442 | |
| 105 | - NN = 3 : 3.0761e+000 1.5094e+001 3.7493e+001 9.0000e+001 9.0000e+001 9.0000e+001 0402442 | |
| 106 | - | |
| 107 | - Monoclinic(B), Best Score : Lattice constants, label. | |
| 108 | - M = 4.2346e+000 : 3.0150e+001 2.8469e+000 2.4045e+001 9.0000e+001 1.2813e+002 9.0000e+001 03047843 | |
| 109 | - Mwu = 3.4908e+000 : 3.0150e+001 2.8469e+000 2.4045e+001 9.0000e+001 1.2813e+002 9.0000e+001 03047843 | |
| 110 | - Mrev = 3.2627e+000 : 4.6110e+000 5.4744e+001 3.6481e+000 9.0000e+001 1.2500e+002 9.0000e+001 03064717 | |
| 111 | - Msym = 1.1210e+001 : 4.6313e+000 5.4745e+001 3.6630e+000 9.0000e+001 1.2533e+002 9.0000e+001 03064601 | |
| 112 | - NN = 44 : 4.6268e+000 5.4750e+001 3.6595e+000 9.0000e+001 1.2526e+002 9.0000e+001 03064626 | |
| 113 | - | |
| 114 | - Monoclinic(P), Best Score : Lattice constants, label. | |
| 115 | - M = 2.7514e+002 : 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 02015609 | |
| 116 | - Mwu = 2.0636e+002 : 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 02015609 | |
| 117 | - Mrev = 3.8134e+000 : 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 02015609 | |
| 118 | - Msym = 1.0492e+003 : 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 02015609 | |
| 119 | - NN = 16 : 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 02015609 | |
| 120 | - | |
| 121 | - Triclinic, Best Score : Lattice constants, label. | |
| 122 | - M = 2.2124e+002 : 8.8192e+000 9.7563e+000 9.7825e+000 9.0000e+001 7.5698e+001 8.9997e+001 0108579 | |
| 123 | - Mwu = 2.7497e+002 : 8.8192e+000 9.7563e+000 9.7825e+000 9.0000e+001 7.5698e+001 8.9997e+001 0108579 | |
| 124 | - Mrev = 6.1732e+000 : 8.8189e+000 9.7561e+000 9.7826e+000 8.9998e+001 7.5698e+001 8.9997e+001 0108583 | |
| 125 | - Msym = 1.3360e+003 : 8.8192e+000 9.7563e+000 9.7825e+000 9.0000e+001 7.5698e+001 8.9997e+001 0108579 | |
| 126 | - NN = 159 : 3.2727e+000 7.5213e+000 4.7578e+001 8.6685e+001 8.9000e+001 8.8867e+001 0105852 | |
| 127 | - | |
| 128 | - --> | |
| 129 | - | |
| 130 | - <!-- Information on the selected candidates.--> | |
| 131 | - <SelectedLatticeCandidate number="02015609"> | |
| 132 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 133 | - | |
| 134 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 135 | - <ReducedLatticeParameters> 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 136 | - <OptimizedLatticeParameters> 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 137 | - | |
| 138 | - <VolumeOfUnitCell> 8.1561e+002 </VolumeOfUnitCell> | |
| 139 | - <FigureOfMeritWolff name="M20"> 2.7514e+002 </FigureOfMeritWolff> | |
| 140 | - <FigureOfMeritWu name="Mwu20"> 2.0636e+002 </FigureOfMeritWu> | |
| 141 | - <ReversedFigureOfMeritWolff name="Mrev20"> 3.8134e+000 </ReversedFigureOfMeritWolff> | |
| 142 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.0492e+003 </SymmetricFigureOfMeritWolff> | |
| 143 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 144 | - <NumberOfMillerIndicesInRange> 2.6500e+001 </NumberOfMillerIndicesInRange> | |
| 145 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 146 | - <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 147 | - | |
| 148 | - <NumberOfLatticesInNeighborhood> 16 </NumberOfLatticesInNeighborhood> | |
| 149 | - | |
| 150 | - <EquivalentLatticeCandidates> | |
| 151 | - </EquivalentLatticeCandidates> | |
| 152 | - | |
| 153 | - </SelectedLatticeCandidate> | |
| 154 | - | |
| 155 | - | |
| 156 | - <!-- Candidates for Cubic(F) --> | |
| 157 | - | |
| 158 | - | |
| 159 | - | |
| 160 | - <!-- Candidates for Cubic(I) --> | |
| 161 | - | |
| 162 | - | |
| 163 | - | |
| 164 | - <!-- Candidates for Cubic(P) --> | |
| 165 | - | |
| 166 | - | |
| 167 | - | |
| 168 | - <!-- Candidates for Hexagonal --> | |
| 169 | - | |
| 170 | - | |
| 171 | - | |
| 172 | - <!-- Candidates for Rhombohedral --> | |
| 173 | - | |
| 174 | - <LatticeCandidate number="1006000"> | |
| 175 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 176 | - | |
| 177 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 178 | - <ReducedLatticeParameters axis="Rhombohedral"> 2.9674e+001 2.9674e+001 2.9674e+001 1.1978e+002 1.1978e+002 1.1978e+002 </ReducedLatticeParameters> | |
| 179 | - <ReducedLatticeParameters axis="Hexagonal"> 5.1339e+001 5.1339e+001 4.2211e+000 9.0000e+001 9.0000e+001 1.2000e+002 </ReducedLatticeParameters> | |
| 180 | - | |
| 181 | - <OptimizedLatticeParameters> 5.1339e+001 5.1339e+001 4.2211e+000 9.0000e+001 9.0000e+001 1.2000e+002 </OptimizedLatticeParameters> | |
| 182 | - | |
| 183 | - <VolumeOfUnitCell axis="Hexagonal"> 9.6347e+003 </VolumeOfUnitCell> | |
| 184 | - <FigureOfMeritWolff name="M20"> 3.0005e+000 </FigureOfMeritWolff> | |
| 185 | - <FigureOfMeritWu name="Mwu20"> 2.2887e+000 </FigureOfMeritWu> | |
| 186 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5494e+000 </ReversedFigureOfMeritWolff> | |
| 187 | - <SymmetricFigureOfMeritWolff name="Msym20"> 4.6490e+000 </SymmetricFigureOfMeritWolff> | |
| 188 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 189 | - <NumberOfMillerIndicesInRange> 4.1167e+001 </NumberOfMillerIndicesInRange> | |
| 190 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 191 | - <NumberOfPeaksNecessaryToResolveDominantZone> 20 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 192 | - | |
| 193 | - <NumberOfLatticesInNeighborhood> 9 </NumberOfLatticesInNeighborhood> | |
| 194 | - | |
| 195 | - <EquivalentLatticeCandidates> | |
| 196 | - <LatticeCandidate> | |
| 197 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 198 | - <LatticeParameters> 4.2192e+000 2.9626e+001 5.1313e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 199 | - </LatticeCandidate> | |
| 200 | - <LatticeCandidate> | |
| 201 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 202 | - <LatticeParameters> 5.1487e+001 2.9626e+001 4.2192e+000 9.0000e+001 9.4701e+001 9.0000e+001 </LatticeParameters> | |
| 203 | - </LatticeCandidate> | |
| 204 | - <LatticeCandidate> | |
| 205 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 206 | - <LatticeParameters> 5.9252e+001 4.2192e+000 2.9626e+001 9.0000e+001 1.2000e+002 9.0000e+001 </LatticeParameters> | |
| 207 | - </LatticeCandidate> | |
| 208 | - <LatticeCandidate> | |
| 209 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 210 | - <LatticeParameters> 2.9659e+001 5.1313e+001 4.2097e+000 9.0000e+001 9.2712e+001 9.0000e+001 </LatticeParameters> | |
| 211 | - </LatticeCandidate> | |
| 212 | - <LatticeCandidate> | |
| 213 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 214 | - <LatticeParameters> 2.9759e+001 5.1313e+001 4.2240e+000 9.0000e+001 9.5430e+001 9.0000e+001 </LatticeParameters> | |
| 215 | - </LatticeCandidate> | |
| 216 | - <LatticeCandidate> | |
| 217 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 218 | - <LatticeParameters> 4.2240e+000 2.9659e+001 2.9659e+001 1.1978e+002 9.2721e+001 9.2721e+001 </LatticeParameters> | |
| 219 | - </LatticeCandidate> | |
| 220 | - </EquivalentLatticeCandidates> | |
| 221 | - | |
| 222 | - </LatticeCandidate> | |
| 223 | - | |
| 224 | - | |
| 225 | - | |
| 226 | - <!-- Candidates for Tetragonal(I) --> | |
| 227 | - | |
| 228 | - | |
| 229 | - | |
| 230 | - <!-- Candidates for Tetragonal(P) --> | |
| 231 | - | |
| 232 | - | |
| 233 | - | |
| 234 | - <!-- Candidates for Orthorhombic(F) --> | |
| 235 | - | |
| 236 | - <LatticeCandidate number="0702278"> | |
| 237 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 238 | - | |
| 239 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 240 | - <ReducedLatticeParameters> 2.1201e+001 2.1897e+001 2.7044e+001 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 241 | - <OptimizedLatticeParameters> 2.1201e+001 2.1897e+001 2.7044e+001 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 242 | - | |
| 243 | - <VolumeOfUnitCell> 1.2554e+004 </VolumeOfUnitCell> | |
| 244 | - <FigureOfMeritWolff name="M20"> 3.2590e+000 </FigureOfMeritWolff> | |
| 245 | - <FigureOfMeritWu name="Mwu20"> 2.8266e+000 </FigureOfMeritWu> | |
| 246 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.7964e+000 </ReversedFigureOfMeritWolff> | |
| 247 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.8545e+000 </SymmetricFigureOfMeritWolff> | |
| 248 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 249 | - <NumberOfMillerIndicesInRange> 5.4250e+001 </NumberOfMillerIndicesInRange> | |
| 250 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 251 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 252 | - | |
| 253 | - <NumberOfLatticesInNeighborhood> 11 </NumberOfLatticesInNeighborhood> | |
| 254 | - | |
| 255 | - <EquivalentLatticeCandidates> | |
| 256 | - <LatticeCandidate> | |
| 257 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 258 | - <LatticeParameters> 2.6865e+001 2.6865e+001 1.4305e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 259 | - </LatticeCandidate> | |
| 260 | - <LatticeCandidate> | |
| 261 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 262 | - <LatticeParameters> 2.6865e+001 2.6865e+001 1.4599e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 263 | - </LatticeCandidate> | |
| 264 | - <LatticeCandidate> | |
| 265 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 266 | - <LatticeParameters> 2.2595e+001 2.2595e+001 1.7256e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 267 | - </LatticeCandidate> | |
| 268 | - <LatticeCandidate> | |
| 269 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 270 | - <LatticeParameters> 2.2595e+001 2.2595e+001 1.5232e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 271 | - </LatticeCandidate> | |
| 272 | - <LatticeCandidate> | |
| 273 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 274 | - <LatticeParameters> 2.3178e+001 2.3178e+001 1.7092e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 275 | - </LatticeCandidate> | |
| 276 | - <LatticeCandidate> | |
| 277 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 278 | - <LatticeParameters> 2.3178e+001 2.3178e+001 1.4793e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 279 | - </LatticeCandidate> | |
| 280 | - <LatticeCandidate> | |
| 281 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 282 | - <LatticeParameters> 1.6459e+001 1.6459e+001 3.9809e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 283 | - </LatticeCandidate> | |
| 284 | - <LatticeCandidate> | |
| 285 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 286 | - <LatticeParameters> 1.6624e+001 1.6624e+001 3.9809e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 287 | - </LatticeCandidate> | |
| 288 | - <LatticeCandidate> | |
| 289 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 290 | - <LatticeParameters> 1.5717e+001 1.5717e+001 3.9809e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 291 | - </LatticeCandidate> | |
| 292 | - <LatticeCandidate> | |
| 293 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 294 | - <LatticeParameters> 1.6674e+001 1.6674e+001 2.1915e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 295 | - </LatticeCandidate> | |
| 296 | - <LatticeCandidate> | |
| 297 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 298 | - <LatticeParameters> 1.5231e+001 1.5231e+001 2.7033e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 299 | - </LatticeCandidate> | |
| 300 | - <LatticeCandidate> | |
| 301 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 302 | - <LatticeParameters> 3.1028e+001 1.5231e+001 1.5231e+001 9.0000e+001 1.1940e+002 9.0000e+001 </LatticeParameters> | |
| 303 | - </LatticeCandidate> | |
| 304 | - <LatticeCandidate> | |
| 305 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 306 | - <LatticeParameters> 1.7249e+001 2.6540e+001 1.4757e+001 9.0000e+001 1.1595e+002 9.0000e+001 </LatticeParameters> | |
| 307 | - </LatticeCandidate> | |
| 308 | - <LatticeCandidate> | |
| 309 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 310 | - <LatticeParameters> 1.6984e+001 2.6540e+001 1.4531e+001 9.0000e+001 1.1404e+002 9.0000e+001 </LatticeParameters> | |
| 311 | - </LatticeCandidate> | |
| 312 | - <LatticeCandidate> | |
| 313 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 314 | - <LatticeParameters> 2.7177e+001 1.7024e+001 1.7024e+001 9.0000e+001 1.2879e+002 9.0000e+001 </LatticeParameters> | |
| 315 | - </LatticeCandidate> | |
| 316 | - <LatticeCandidate> | |
| 317 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 318 | - <LatticeParameters> 2.1184e+001 2.1915e+001 1.7172e+001 9.0000e+001 1.2808e+002 9.0000e+001 </LatticeParameters> | |
| 319 | - </LatticeCandidate> | |
| 320 | - <LatticeCandidate> | |
| 321 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 322 | - <LatticeParameters> 2.7537e+001 1.6674e+001 1.6674e+001 9.0000e+001 1.2727e+002 9.0000e+001 </LatticeParameters> | |
| 323 | - </LatticeCandidate> | |
| 324 | - <LatticeCandidate> | |
| 325 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 326 | - <LatticeParameters> 2.1915e+001 2.1184e+001 1.7400e+001 9.0000e+001 1.2903e+002 9.0000e+001 </LatticeParameters> | |
| 327 | - </LatticeCandidate> | |
| 328 | - <LatticeCandidate> | |
| 329 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 330 | - <LatticeParameters> 2.1184e+001 2.7033e+001 1.5240e+001 9.0000e+001 1.3403e+002 9.0000e+001 </LatticeParameters> | |
| 331 | - </LatticeCandidate> | |
| 332 | - <LatticeCandidate> | |
| 333 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 334 | - <LatticeParameters> 1.5238e+001 2.6540e+001 1.5110e+001 9.0000e+001 1.1857e+002 9.0000e+001 </LatticeParameters> | |
| 335 | - </LatticeCandidate> | |
| 336 | - <LatticeCandidate> | |
| 337 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 338 | - <LatticeParameters> 1.5240e+001 1.5240e+001 1.7172e+001 1.1539e+002 1.1539e+002 9.1942e+001 </LatticeParameters> | |
| 339 | - </LatticeCandidate> | |
| 340 | - </EquivalentLatticeCandidates> | |
| 341 | - | |
| 342 | - </LatticeCandidate> | |
| 343 | - | |
| 344 | - <LatticeCandidate number="0703052"> | |
| 345 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 346 | - | |
| 347 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 348 | - <ReducedLatticeParameters> 1.0080e+001 1.0257e+001 8.8763e+001 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 349 | - <OptimizedLatticeParameters> 1.0080e+001 1.0257e+001 8.8763e+001 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 350 | - | |
| 351 | - <VolumeOfUnitCell> 9.1772e+003 </VolumeOfUnitCell> | |
| 352 | - <FigureOfMeritWolff name="M20"> 3.0828e+000 </FigureOfMeritWolff> | |
| 353 | - <FigureOfMeritWu name="Mwu20"> 2.9146e+000 </FigureOfMeritWu> | |
| 354 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.2588e+000 </ReversedFigureOfMeritWolff> | |
| 355 | - <SymmetricFigureOfMeritWolff name="Msym20"> 3.8806e+000 </SymmetricFigureOfMeritWolff> | |
| 356 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 357 | - <NumberOfMillerIndicesInRange> 4.4500e+001 </NumberOfMillerIndicesInRange> | |
| 358 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 359 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 360 | - | |
| 361 | - <NumberOfLatticesInNeighborhood> 4 </NumberOfLatticesInNeighborhood> | |
| 362 | - | |
| 363 | - <EquivalentLatticeCandidates> | |
| 364 | - <LatticeCandidate> | |
| 365 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 366 | - <LatticeParameters> 1.0101e+001 8.8645e+001 7.1966e+000 9.0000e+001 1.3457e+002 9.0000e+001 </LatticeParameters> | |
| 367 | - </LatticeCandidate> | |
| 368 | - <LatticeCandidate> | |
| 369 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 370 | - <LatticeParameters> 7.1966e+000 8.8645e+001 7.1730e+000 9.0000e+001 9.0859e+001 9.0000e+001 </LatticeParameters> | |
| 371 | - </LatticeCandidate> | |
| 372 | - <LatticeCandidate> | |
| 373 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 374 | - <LatticeParameters> 1.0101e+001 1.0254e+001 4.4609e+001 9.0000e+001 9.6501e+001 9.0000e+001 </LatticeParameters> | |
| 375 | - </LatticeCandidate> | |
| 376 | - <LatticeCandidate> | |
| 377 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 378 | - <LatticeParameters> 1.0254e+001 1.0101e+001 4.4618e+001 9.0000e+001 9.6598e+001 9.0000e+001 </LatticeParameters> | |
| 379 | - </LatticeCandidate> | |
| 380 | - <LatticeCandidate> | |
| 381 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 382 | - <LatticeParameters> 7.1966e+000 7.1966e+000 4.4609e+001 9.4557e+001 9.4557e+001 9.0862e+001 </LatticeParameters> | |
| 383 | - </LatticeCandidate> | |
| 384 | - </EquivalentLatticeCandidates> | |
| 385 | - | |
| 386 | - </LatticeCandidate> | |
| 387 | - | |
| 388 | - <LatticeCandidate number="0704764"> | |
| 389 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 390 | - | |
| 391 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 392 | - <ReducedLatticeParameters> 4.2412e+000 3.1577e+001 3.9316e+001 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 393 | - <OptimizedLatticeParameters> 4.2412e+000 3.1577e+001 3.9316e+001 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 394 | - | |
| 395 | - <VolumeOfUnitCell> 5.2653e+003 </VolumeOfUnitCell> | |
| 396 | - <FigureOfMeritWolff name="M20"> 3.0652e+000 </FigureOfMeritWolff> | |
| 397 | - <FigureOfMeritWu name="Mwu20"> 2.4793e+000 </FigureOfMeritWu> | |
| 398 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8249e+000 </ReversedFigureOfMeritWolff> | |
| 399 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.5939e+000 </SymmetricFigureOfMeritWolff> | |
| 400 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 401 | - <NumberOfMillerIndicesInRange> 3.1500e+001 </NumberOfMillerIndicesInRange> | |
| 402 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 403 | - <NumberOfPeaksNecessaryToResolveDominantZone> 20 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 404 | - | |
| 405 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 406 | - | |
| 407 | - <EquivalentLatticeCandidates> | |
| 408 | - <LatticeCandidate> | |
| 409 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 410 | - <LatticeParameters> 4.2384e+000 3.9236e+001 1.5945e+001 9.0000e+001 9.7638e+001 9.0000e+001 </LatticeParameters> | |
| 411 | - </LatticeCandidate> | |
| 412 | - <LatticeCandidate> | |
| 413 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 414 | - <LatticeParameters> 4.2384e+000 3.1606e+001 1.9732e+001 9.0000e+001 9.6165e+001 9.0000e+001 </LatticeParameters> | |
| 415 | - </LatticeCandidate> | |
| 416 | - <LatticeCandidate> | |
| 417 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 418 | - <LatticeParameters> 3.1606e+001 4.2384e+000 2.5191e+001 9.0000e+001 1.2885e+002 9.0000e+001 </LatticeParameters> | |
| 419 | - </LatticeCandidate> | |
| 420 | - <LatticeCandidate> | |
| 421 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 422 | - <LatticeParameters> 4.2384e+000 1.5945e+001 1.9732e+001 8.9182e+001 8.3835e+001 8.2362e+001 </LatticeParameters> | |
| 423 | - </LatticeCandidate> | |
| 424 | - </EquivalentLatticeCandidates> | |
| 425 | - | |
| 426 | - </LatticeCandidate> | |
| 427 | - | |
| 428 | - | |
| 429 | - | |
| 430 | - <!-- Candidates for Orthorhombic(I) --> | |
| 431 | - | |
| 432 | - | |
| 433 | - | |
| 434 | - <!-- Candidates for Orthorhombic(C) --> | |
| 435 | - | |
| 436 | - <LatticeCandidate number="0501161"> | |
| 437 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 438 | - | |
| 439 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 440 | - <ReducedLatticeParameters> 3.4455e+000 3.0447e+001 1.8287e+001 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 441 | - <OptimizedLatticeParameters> 3.4455e+000 3.0447e+001 1.8287e+001 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 442 | - | |
| 443 | - <VolumeOfUnitCell> 1.9184e+003 </VolumeOfUnitCell> | |
| 444 | - <FigureOfMeritWolff name="M20"> 3.1948e+000 </FigureOfMeritWolff> | |
| 445 | - <FigureOfMeritWu name="Mwu20"> 2.7528e+000 </FigureOfMeritWu> | |
| 446 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.4939e+000 </ReversedFigureOfMeritWolff> | |
| 447 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.9675e+000 </SymmetricFigureOfMeritWolff> | |
| 448 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 449 | - <NumberOfMillerIndicesInRange> 2.8000e+001 </NumberOfMillerIndicesInRange> | |
| 450 | - <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks> | |
| 451 | - <NumberOfPeaksNecessaryToResolveDominantZone> 35 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 452 | - | |
| 453 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 454 | - | |
| 455 | - <EquivalentLatticeCandidates> | |
| 456 | - <LatticeCandidate> | |
| 457 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 458 | - <LatticeParameters> 3.4434e+000 1.5294e+001 1.8273e+001 9.0000e+001 9.0000e+001 9.6464e+001 </LatticeParameters> | |
| 459 | - </LatticeCandidate> | |
| 460 | - </EquivalentLatticeCandidates> | |
| 461 | - | |
| 462 | - </LatticeCandidate> | |
| 463 | - | |
| 464 | - <LatticeCandidate number="0501273"> | |
| 465 | - <CrystalSystem> Orthorhombic(C) </CrystalSystem> | |
| 466 | - | |
| 467 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 468 | - <ReducedLatticeParameters> 3.5732e+000 1.6669e+001 2.4598e+001 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 469 | - <OptimizedLatticeParameters> 3.5732e+000 1.6669e+001 2.4598e+001 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 470 | - | |
| 471 | - <VolumeOfUnitCell> 1.4651e+003 </VolumeOfUnitCell> | |
| 472 | - <FigureOfMeritWolff name="M20"> 3.1818e+000 </FigureOfMeritWolff> | |
| 473 | - <FigureOfMeritWu name="Mwu20"> 2.4305e+000 </FigureOfMeritWu> | |
| 474 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.8463e+000 </ReversedFigureOfMeritWolff> | |
| 475 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.0562e+000 </SymmetricFigureOfMeritWolff> | |
| 476 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 477 | - <NumberOfMillerIndicesInRange> 1.7750e+001 </NumberOfMillerIndicesInRange> | |
| 478 | - <NumberOfIndexedPeaks> 14 </NumberOfIndexedPeaks> | |
| 479 | - <NumberOfPeaksNecessaryToResolveDominantZone> 33 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 480 | - | |
| 481 | - <NumberOfLatticesInNeighborhood> 14 </NumberOfLatticesInNeighborhood> | |
| 482 | - | |
| 483 | - <EquivalentLatticeCandidates> | |
| 484 | - <LatticeCandidate> | |
| 485 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 486 | - <LatticeParameters> 3.5684e+000 8.5290e+000 2.4643e+001 9.0000e+001 9.0000e+001 1.0208e+002 </LatticeParameters> | |
| 487 | - </LatticeCandidate> | |
| 488 | - </EquivalentLatticeCandidates> | |
| 489 | - | |
| 490 | - </LatticeCandidate> | |
| 491 | - | |
| 492 | - | |
| 493 | - | |
| 494 | - <!-- Candidates for Orthorhombic(P) --> | |
| 495 | - | |
| 496 | - <LatticeCandidate number="0402932"> | |
| 497 | - <CrystalSystem> Orthorhombic(P) </CrystalSystem> | |
| 498 | - | |
| 499 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 500 | - <ReducedLatticeParameters> 4.7711e+000 1.5211e+001 1.8405e+001 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 501 | - <OptimizedLatticeParameters> 4.7711e+000 1.5211e+001 1.8405e+001 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 502 | - | |
| 503 | - <VolumeOfUnitCell> 1.3357e+003 </VolumeOfUnitCell> | |
| 504 | - <FigureOfMeritWolff name="M20"> 3.1050e+000 </FigureOfMeritWolff> | |
| 505 | - <FigureOfMeritWu name="Mwu20"> 3.1954e+000 </FigureOfMeritWu> | |
| 506 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1416e+000 </ReversedFigureOfMeritWolff> | |
| 507 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.6496e+000 </SymmetricFigureOfMeritWolff> | |
| 508 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 509 | - <NumberOfMillerIndicesInRange> 3.2750e+001 </NumberOfMillerIndicesInRange> | |
| 510 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 511 | - <NumberOfPeaksNecessaryToResolveDominantZone> 18 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 512 | - | |
| 513 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 514 | - | |
| 515 | - <EquivalentLatticeCandidates> | |
| 516 | - <LatticeCandidate> | |
| 517 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 518 | - <LatticeParameters> 4.7251e+000 3.6740e+001 1.5242e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 519 | - </LatticeCandidate> | |
| 520 | - <LatticeCandidate> | |
| 521 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 522 | - <LatticeParameters> 3.0484e+001 4.6694e+000 2.3870e+001 9.0000e+001 1.2968e+002 9.0000e+001 </LatticeParameters> | |
| 523 | - </LatticeCandidate> | |
| 524 | - <LatticeCandidate> | |
| 525 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 526 | - <LatticeParameters> 4.7075e+000 3.0484e+001 1.8370e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 527 | - </LatticeCandidate> | |
| 528 | - </EquivalentLatticeCandidates> | |
| 529 | - | |
| 530 | - </LatticeCandidate> | |
| 531 | - | |
| 532 | - <LatticeCandidate number="0402442"> | |
| 533 | - <CrystalSystem> Orthorhombic(P) </CrystalSystem> | |
| 534 | - | |
| 535 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 536 | - <ReducedLatticeParameters> 3.0761e+000 1.5094e+001 3.7493e+001 9.0000e+001 9.0000e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 537 | - <OptimizedLatticeParameters> 3.0761e+000 1.5094e+001 3.7493e+001 9.0000e+001 9.0000e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 538 | - | |
| 539 | - <VolumeOfUnitCell> 1.7408e+003 </VolumeOfUnitCell> | |
| 540 | - <FigureOfMeritWolff name="M20"> 3.0010e+000 </FigureOfMeritWolff> | |
| 541 | - <FigureOfMeritWu name="Mwu20"> 3.0689e+000 </FigureOfMeritWu> | |
| 542 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.4237e+000 </ReversedFigureOfMeritWolff> | |
| 543 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.2737e+000 </SymmetricFigureOfMeritWolff> | |
| 544 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 545 | - <NumberOfMillerIndicesInRange> 4.0500e+001 </NumberOfMillerIndicesInRange> | |
| 546 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 547 | - <NumberOfPeaksNecessaryToResolveDominantZone> 44 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 548 | - | |
| 549 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 550 | - | |
| 551 | - <EquivalentLatticeCandidates> | |
| 552 | - <LatticeCandidate> | |
| 553 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 554 | - <LatticeParameters> 1.4797e+001 7.4987e+001 3.0761e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 555 | - </LatticeCandidate> | |
| 556 | - <LatticeCandidate> | |
| 557 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 558 | - <LatticeParameters> 1.5089e+001 7.4987e+001 3.0736e+000 9.0000e+001 1.0129e+002 9.0000e+001 </LatticeParameters> | |
| 559 | - </LatticeCandidate> | |
| 560 | - </EquivalentLatticeCandidates> | |
| 561 | - | |
| 562 | - </LatticeCandidate> | |
| 563 | - | |
| 564 | - | |
| 565 | - | |
| 566 | - <!-- Candidates for Monoclinic(B) --> | |
| 567 | - | |
| 568 | - <LatticeCandidate number="03047843"> | |
| 569 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 570 | - | |
| 571 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 572 | - <ReducedLatticeParameters> 3.0150e+001 2.8469e+000 2.4045e+001 9.0000e+001 1.2813e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 573 | - <OptimizedLatticeParameters> 3.0150e+001 2.8469e+000 2.4045e+001 9.0000e+001 1.2813e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 574 | - | |
| 575 | - <VolumeOfUnitCell> 1.6235e+003 </VolumeOfUnitCell> | |
| 576 | - <FigureOfMeritWolff name="M20"> 4.2346e+000 </FigureOfMeritWolff> | |
| 577 | - <FigureOfMeritWu name="Mwu20"> 3.4908e+000 </FigureOfMeritWu> | |
| 578 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.5311e+000 </ReversedFigureOfMeritWolff> | |
| 579 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.0718e+001 </SymmetricFigureOfMeritWolff> | |
| 580 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 581 | - <NumberOfMillerIndicesInRange> 3.0000e+001 </NumberOfMillerIndicesInRange> | |
| 582 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 583 | - <NumberOfPeaksNecessaryToResolveDominantZone> 50 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 584 | - | |
| 585 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 586 | - | |
| 587 | - <EquivalentLatticeCandidates> | |
| 588 | - <LatticeCandidate> | |
| 589 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 590 | - <LatticeParameters> 2.8469e+000 1.5152e+001 1.8997e+001 9.0362e+001 9.4297e+001 9.5391e+001 </LatticeParameters> | |
| 591 | - </LatticeCandidate> | |
| 592 | - </EquivalentLatticeCandidates> | |
| 593 | - | |
| 594 | - </LatticeCandidate> | |
| 595 | - | |
| 596 | - <LatticeCandidate number="03024104"> | |
| 597 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 598 | - | |
| 599 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 600 | - <ReducedLatticeParameters> 4.8474e+000 3.4216e+001 2.9260e+001 9.0000e+001 9.2014e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 601 | - <OptimizedLatticeParameters> 4.8474e+000 3.4216e+001 2.9260e+001 9.0000e+001 9.2014e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 602 | - | |
| 603 | - <VolumeOfUnitCell> 4.8500e+003 </VolumeOfUnitCell> | |
| 604 | - <FigureOfMeritWolff name="M20"> 3.6609e+000 </FigureOfMeritWolff> | |
| 605 | - <FigureOfMeritWu name="Mwu20"> 3.1712e+000 </FigureOfMeritWu> | |
| 606 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8273e+000 </ReversedFigureOfMeritWolff> | |
| 607 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.6894e+000 </SymmetricFigureOfMeritWolff> | |
| 608 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 609 | - <NumberOfMillerIndicesInRange> 7.1500e+001 </NumberOfMillerIndicesInRange> | |
| 610 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 611 | - <NumberOfPeaksNecessaryToResolveDominantZone> 15 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 612 | - | |
| 613 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 614 | - | |
| 615 | - <EquivalentLatticeCandidates> | |
| 616 | - <LatticeCandidate> | |
| 617 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 618 | - <LatticeParameters> 9.5267e+000 9.5984e+000 2.9523e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 619 | - </LatticeCandidate> | |
| 620 | - <LatticeCandidate> | |
| 621 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 622 | - <LatticeParameters> 4.8451e+000 3.4214e+001 5.8414e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 623 | - </LatticeCandidate> | |
| 624 | - <LatticeCandidate> | |
| 625 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 626 | - <LatticeParameters> 8.8642e+000 9.4171e+000 9.5267e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 627 | - </LatticeCandidate> | |
| 628 | - <LatticeCandidate> | |
| 629 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 630 | - <LatticeParameters> 4.8504e+000 1.7278e+001 2.9226e+001 8.9706e+001 8.7907e+001 8.1931e+001 </LatticeParameters> | |
| 631 | - </LatticeCandidate> | |
| 632 | - </EquivalentLatticeCandidates> | |
| 633 | - | |
| 634 | - </LatticeCandidate> | |
| 635 | - | |
| 636 | - <LatticeCandidate number="03064626"> | |
| 637 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 638 | - | |
| 639 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 640 | - <ReducedLatticeParameters> 4.6268e+000 5.4750e+001 3.6595e+000 9.0000e+001 1.2526e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 641 | - <OptimizedLatticeParameters> 4.6268e+000 5.4750e+001 3.6595e+000 9.0000e+001 1.2526e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 642 | - | |
| 643 | - <VolumeOfUnitCell> 7.5699e+002 </VolumeOfUnitCell> | |
| 644 | - <FigureOfMeritWolff name="M20"> 3.6534e+000 </FigureOfMeritWolff> | |
| 645 | - <FigureOfMeritWu name="Mwu20"> 2.8661e+000 </FigureOfMeritWu> | |
| 646 | - <ReversedFigureOfMeritWolff name="Mrev20"> 3.0449e+000 </ReversedFigureOfMeritWolff> | |
| 647 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.1124e+001 </SymmetricFigureOfMeritWolff> | |
| 648 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 649 | - <NumberOfMillerIndicesInRange> 1.8500e+001 </NumberOfMillerIndicesInRange> | |
| 650 | - <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks> | |
| 651 | - <NumberOfPeaksNecessaryToResolveDominantZone> 44 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 652 | - | |
| 653 | - <NumberOfLatticesInNeighborhood> 44 </NumberOfLatticesInNeighborhood> | |
| 654 | - | |
| 655 | - <EquivalentLatticeCandidates> | |
| 656 | - <LatticeCandidate> | |
| 657 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 658 | - <LatticeParameters> 3.6551e+000 3.9045e+000 2.7432e+001 9.3119e+001 9.2792e+001 1.0457e+002 </LatticeParameters> | |
| 659 | - </LatticeCandidate> | |
| 660 | - </EquivalentLatticeCandidates> | |
| 661 | - | |
| 662 | - </LatticeCandidate> | |
| 663 | - | |
| 664 | - <LatticeCandidate number="03051759"> | |
| 665 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 666 | - | |
| 667 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 668 | - <ReducedLatticeParameters> 1.6237e+001 3.5947e+000 2.3830e+001 9.0000e+001 9.3578e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 669 | - <OptimizedLatticeParameters> 1.6237e+001 3.5947e+000 2.3830e+001 9.0000e+001 9.3578e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 670 | - | |
| 671 | - <VolumeOfUnitCell> 1.3882e+003 </VolumeOfUnitCell> | |
| 672 | - <FigureOfMeritWolff name="M20"> 3.4438e+000 </FigureOfMeritWolff> | |
| 673 | - <FigureOfMeritWu name="Mwu20"> 3.3462e+000 </FigureOfMeritWu> | |
| 674 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.4078e+000 </ReversedFigureOfMeritWolff> | |
| 675 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.2922e+000 </SymmetricFigureOfMeritWolff> | |
| 676 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 677 | - <NumberOfMillerIndicesInRange> 3.1000e+001 </NumberOfMillerIndicesInRange> | |
| 678 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 679 | - <NumberOfPeaksNecessaryToResolveDominantZone> 33 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 680 | - | |
| 681 | - <NumberOfLatticesInNeighborhood> 15 </NumberOfLatticesInNeighborhood> | |
| 682 | - | |
| 683 | - <EquivalentLatticeCandidates> | |
| 684 | - <LatticeCandidate> | |
| 685 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 686 | - <LatticeParameters> 3.5952e+000 8.3144e+000 2.3782e+001 8.6561e+001 9.0000e+001 7.7514e+001 </LatticeParameters> | |
| 687 | - </LatticeCandidate> | |
| 688 | - </EquivalentLatticeCandidates> | |
| 689 | - | |
| 690 | - </LatticeCandidate> | |
| 691 | - | |
| 692 | - <LatticeCandidate number="03021383"> | |
| 693 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 694 | - | |
| 695 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 696 | - <ReducedLatticeParameters> 3.4838e+001 4.0942e+001 4.1424e+000 9.0000e+001 9.1065e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 697 | - <OptimizedLatticeParameters> 3.4838e+001 4.0942e+001 4.1424e+000 9.0000e+001 9.1065e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 698 | - | |
| 699 | - <VolumeOfUnitCell> 5.9075e+003 </VolumeOfUnitCell> | |
| 700 | - <FigureOfMeritWolff name="M20"> 3.3781e+000 </FigureOfMeritWolff> | |
| 701 | - <FigureOfMeritWu name="Mwu20"> 3.0895e+000 </FigureOfMeritWu> | |
| 702 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.3346e+000 </ReversedFigureOfMeritWolff> | |
| 703 | - <SymmetricFigureOfMeritWolff name="Msym20"> 4.5085e+000 </SymmetricFigureOfMeritWolff> | |
| 704 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 705 | - <NumberOfMillerIndicesInRange> 1.0650e+002 </NumberOfMillerIndicesInRange> | |
| 706 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 707 | - <NumberOfPeaksNecessaryToResolveDominantZone> 22 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 708 | - | |
| 709 | - <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood> | |
| 710 | - | |
| 711 | - <EquivalentLatticeCandidates> | |
| 712 | - <LatticeCandidate> | |
| 713 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 714 | - <LatticeParameters> 5.0277e+001 5.0277e+001 4.1175e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 715 | - </LatticeCandidate> | |
| 716 | - <LatticeCandidate> | |
| 717 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 718 | - <LatticeParameters> 5.0277e+001 5.0277e+001 4.1318e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 719 | - </LatticeCandidate> | |
| 720 | - <LatticeCandidate> | |
| 721 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 722 | - <LatticeParameters> 8.1131e+000 8.1960e+000 5.3044e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 723 | - </LatticeCandidate> | |
| 724 | - <LatticeCandidate> | |
| 725 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 726 | - <LatticeParameters> 7.8861e+000 8.1606e+000 8.1960e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 727 | - </LatticeCandidate> | |
| 728 | - <LatticeCandidate> | |
| 729 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 730 | - <LatticeParameters> 4.1306e+000 2.5412e+001 5.3044e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 731 | - </LatticeCandidate> | |
| 732 | - <LatticeCandidate> | |
| 733 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 734 | - <LatticeParameters> 4.1393e+000 2.6873e+001 2.6873e+001 9.9243e+001 9.0693e+001 9.0693e+001 </LatticeParameters> | |
| 735 | - </LatticeCandidate> | |
| 736 | - </EquivalentLatticeCandidates> | |
| 737 | - | |
| 738 | - </LatticeCandidate> | |
| 739 | - | |
| 740 | - <LatticeCandidate number="03044806"> | |
| 741 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 742 | - | |
| 743 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 744 | - <ReducedLatticeParameters> 1.5854e+001 6.4826e+000 1.8556e+001 9.0000e+001 1.0678e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 745 | - <OptimizedLatticeParameters> 1.5854e+001 6.4826e+000 1.8556e+001 9.0000e+001 1.0678e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 746 | - | |
| 747 | - <VolumeOfUnitCell> 1.8259e+003 </VolumeOfUnitCell> | |
| 748 | - <FigureOfMeritWolff name="M20"> 3.3543e+000 </FigureOfMeritWolff> | |
| 749 | - <FigureOfMeritWu name="Mwu20"> 3.0452e+000 </FigureOfMeritWu> | |
| 750 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.5866e+000 </ReversedFigureOfMeritWolff> | |
| 751 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.6762e+000 </SymmetricFigureOfMeritWolff> | |
| 752 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 753 | - <NumberOfMillerIndicesInRange> 3.1500e+001 </NumberOfMillerIndicesInRange> | |
| 754 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 755 | - <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 756 | - | |
| 757 | - <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood> | |
| 758 | - | |
| 759 | - <EquivalentLatticeCandidates> | |
| 760 | - <LatticeCandidate> | |
| 761 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 762 | - <LatticeParameters> 8.2065e+000 1.1978e+001 3.5505e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 763 | - </LatticeCandidate> | |
| 764 | - <LatticeCandidate> | |
| 765 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 766 | - <LatticeParameters> 6.5191e+000 8.5653e+000 1.8228e+001 9.3501e+001 1.0030e+002 1.1237e+002 </LatticeParameters> | |
| 767 | - </LatticeCandidate> | |
| 768 | - </EquivalentLatticeCandidates> | |
| 769 | - | |
| 770 | - </LatticeCandidate> | |
| 771 | - | |
| 772 | - <LatticeCandidate number="03052090"> | |
| 773 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 774 | - | |
| 775 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 776 | - <ReducedLatticeParameters> 6.8973e+000 5.4767e+001 3.8764e+000 9.0000e+001 1.1033e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 777 | - <OptimizedLatticeParameters> 6.8973e+000 5.4767e+001 3.8764e+000 9.0000e+001 1.1033e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 778 | - | |
| 779 | - <VolumeOfUnitCell> 1.3731e+003 </VolumeOfUnitCell> | |
| 780 | - <FigureOfMeritWolff name="M20"> 3.3466e+000 </FigureOfMeritWolff> | |
| 781 | - <FigureOfMeritWu name="Mwu20"> 2.9435e+000 </FigureOfMeritWu> | |
| 782 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.3473e+000 </ReversedFigureOfMeritWolff> | |
| 783 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.8555e+000 </SymmetricFigureOfMeritWolff> | |
| 784 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 785 | - <NumberOfMillerIndicesInRange> 2.7500e+001 </NumberOfMillerIndicesInRange> | |
| 786 | - <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks> | |
| 787 | - <NumberOfPeaksNecessaryToResolveDominantZone> 30 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 788 | - | |
| 789 | - <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood> | |
| 790 | - | |
| 791 | - <EquivalentLatticeCandidates> | |
| 792 | - <LatticeCandidate> | |
| 793 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 794 | - <LatticeParameters> 3.8765e+000 6.6222e+000 2.7550e+001 9.5999e+001 9.2497e+001 1.0288e+002 </LatticeParameters> | |
| 795 | - </LatticeCandidate> | |
| 796 | - </EquivalentLatticeCandidates> | |
| 797 | - | |
| 798 | - </LatticeCandidate> | |
| 799 | - | |
| 800 | - <LatticeCandidate number="03023051"> | |
| 801 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 802 | - | |
| 803 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 804 | - <ReducedLatticeParameters> 8.7502e+000 2.2226e+001 2.6729e+001 9.0000e+001 9.2926e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 805 | - <OptimizedLatticeParameters> 8.7502e+000 2.2226e+001 2.6729e+001 9.0000e+001 9.2926e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 806 | - | |
| 807 | - <VolumeOfUnitCell> 5.1915e+003 </VolumeOfUnitCell> | |
| 808 | - <FigureOfMeritWolff name="M20"> 3.3092e+000 </FigureOfMeritWolff> | |
| 809 | - <FigureOfMeritWu name="Mwu20"> 2.7448e+000 </FigureOfMeritWu> | |
| 810 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.2626e+000 </ReversedFigureOfMeritWolff> | |
| 811 | - <SymmetricFigureOfMeritWolff name="Msym20"> 4.1782e+000 </SymmetricFigureOfMeritWolff> | |
| 812 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 813 | - <NumberOfMillerIndicesInRange> 7.7500e+001 </NumberOfMillerIndicesInRange> | |
| 814 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 815 | - <NumberOfPeaksNecessaryToResolveDominantZone> 6 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 816 | - | |
| 817 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 818 | - | |
| 819 | - <EquivalentLatticeCandidates> | |
| 820 | - <LatticeCandidate> | |
| 821 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 822 | - <LatticeParameters> 8.6929e+000 2.2241e+001 5.3361e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 823 | - </LatticeCandidate> | |
| 824 | - <LatticeCandidate> | |
| 825 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 826 | - <LatticeParameters> 8.7496e+000 1.1950e+001 2.6713e+001 8.8961e+001 8.7161e+001 6.8526e+001 </LatticeParameters> | |
| 827 | - </LatticeCandidate> | |
| 828 | - </EquivalentLatticeCandidates> | |
| 829 | - | |
| 830 | - </LatticeCandidate> | |
| 831 | - | |
| 832 | - <LatticeCandidate number="03055283"> | |
| 833 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 834 | - | |
| 835 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 836 | - <ReducedLatticeParameters> 2.4054e+001 3.2865e+000 1.7559e+001 9.0000e+001 1.2230e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 837 | - <OptimizedLatticeParameters> 2.4054e+001 3.2865e+000 1.7559e+001 9.0000e+001 1.2230e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 838 | - | |
| 839 | - <VolumeOfUnitCell> 1.1734e+003 </VolumeOfUnitCell> | |
| 840 | - <FigureOfMeritWolff name="M20"> 3.2812e+000 </FigureOfMeritWolff> | |
| 841 | - <FigureOfMeritWu name="Mwu20"> 3.1546e+000 </FigureOfMeritWu> | |
| 842 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.8538e+000 </ReversedFigureOfMeritWolff> | |
| 843 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.3640e+000 </SymmetricFigureOfMeritWolff> | |
| 844 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 845 | - <NumberOfMillerIndicesInRange> 2.7500e+001 </NumberOfMillerIndicesInRange> | |
| 846 | - <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks> | |
| 847 | - <NumberOfPeaksNecessaryToResolveDominantZone> 36 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 848 | - | |
| 849 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 850 | - | |
| 851 | - <EquivalentLatticeCandidates> | |
| 852 | - <LatticeCandidate> | |
| 853 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 854 | - <LatticeParameters> 3.2835e+000 1.2126e+001 1.5180e+001 7.9233e+001 8.3791e+001 8.2219e+001 </LatticeParameters> | |
| 855 | - </LatticeCandidate> | |
| 856 | - </EquivalentLatticeCandidates> | |
| 857 | - | |
| 858 | - </LatticeCandidate> | |
| 859 | - | |
| 860 | - <LatticeCandidate number="03028521"> | |
| 861 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 862 | - | |
| 863 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 864 | - <ReducedLatticeParameters> 8.1400e+001 2.8871e+000 1.5633e+001 9.0000e+001 9.0429e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 865 | - <OptimizedLatticeParameters> 8.1400e+001 2.8871e+000 1.5633e+001 9.0000e+001 9.0429e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 866 | - | |
| 867 | - <VolumeOfUnitCell> 3.6738e+003 </VolumeOfUnitCell> | |
| 868 | - <FigureOfMeritWolff name="M20"> 3.2348e+000 </FigureOfMeritWolff> | |
| 869 | - <FigureOfMeritWu name="Mwu20"> 3.1052e+000 </FigureOfMeritWu> | |
| 870 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4648e+000 </ReversedFigureOfMeritWolff> | |
| 871 | - <SymmetricFigureOfMeritWolff name="Msym20"> 4.7384e+000 </SymmetricFigureOfMeritWolff> | |
| 872 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 873 | - <NumberOfMillerIndicesInRange> 6.8000e+001 </NumberOfMillerIndicesInRange> | |
| 874 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 875 | - <NumberOfPeaksNecessaryToResolveDominantZone> 49 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 876 | - | |
| 877 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 878 | - | |
| 879 | - <EquivalentLatticeCandidates> | |
| 880 | - <LatticeCandidate> | |
| 881 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 882 | - <LatticeParameters> 2.8803e+000 1.5366e+001 8.1412e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 883 | - </LatticeCandidate> | |
| 884 | - <LatticeCandidate> | |
| 885 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 886 | - <LatticeParameters> 2.8803e+000 1.5633e+001 4.0732e+001 9.0267e+001 9.2026e+001 9.0000e+001 </LatticeParameters> | |
| 887 | - </LatticeCandidate> | |
| 888 | - </EquivalentLatticeCandidates> | |
| 889 | - | |
| 890 | - </LatticeCandidate> | |
| 891 | - | |
| 892 | - <LatticeCandidate number="03062941"> | |
| 893 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 894 | - | |
| 895 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 896 | - <ReducedLatticeParameters> 2.3534e+001 3.4264e+000 1.0309e+001 9.0000e+001 9.5077e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 897 | - <OptimizedLatticeParameters> 2.3534e+001 3.4264e+000 1.0309e+001 9.0000e+001 9.5077e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 898 | - | |
| 899 | - <VolumeOfUnitCell> 8.2800e+002 </VolumeOfUnitCell> | |
| 900 | - <FigureOfMeritWolff name="M20"> 3.2036e+000 </FigureOfMeritWolff> | |
| 901 | - <FigureOfMeritWu name="Mwu20"> 2.2692e+000 </FigureOfMeritWu> | |
| 902 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.8292e+000 </ReversedFigureOfMeritWolff> | |
| 903 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.0637e+000 </SymmetricFigureOfMeritWolff> | |
| 904 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 905 | - <NumberOfMillerIndicesInRange> 1.9000e+001 </NumberOfMillerIndicesInRange> | |
| 906 | - <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks> | |
| 907 | - <NumberOfPeaksNecessaryToResolveDominantZone> 36 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 908 | - | |
| 909 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 910 | - | |
| 911 | - <EquivalentLatticeCandidates> | |
| 912 | - <LatticeCandidate> | |
| 913 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 914 | - <LatticeParameters> 3.4161e+000 1.0304e+001 1.1900e+001 9.4843e+001 9.8252e+001 9.0000e+001 </LatticeParameters> | |
| 915 | - </LatticeCandidate> | |
| 916 | - </EquivalentLatticeCandidates> | |
| 917 | - | |
| 918 | - </LatticeCandidate> | |
| 919 | - | |
| 920 | - <LatticeCandidate number="03047087"> | |
| 921 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 922 | - | |
| 923 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 924 | - <ReducedLatticeParameters> 3.1886e+001 3.1011e+000 2.2578e+001 9.0000e+001 1.3115e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 925 | - <OptimizedLatticeParameters> 3.1886e+001 3.1011e+000 2.2578e+001 9.0000e+001 1.3115e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 926 | - | |
| 927 | - <VolumeOfUnitCell> 1.6810e+003 </VolumeOfUnitCell> | |
| 928 | - <FigureOfMeritWolff name="M20"> 3.1920e+000 </FigureOfMeritWolff> | |
| 929 | - <FigureOfMeritWu name="Mwu20"> 2.5734e+000 </FigureOfMeritWu> | |
| 930 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.7431e+000 </ReversedFigureOfMeritWolff> | |
| 931 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.5640e+000 </SymmetricFigureOfMeritWolff> | |
| 932 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 933 | - <NumberOfMillerIndicesInRange> 3.2000e+001 </NumberOfMillerIndicesInRange> | |
| 934 | - <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks> | |
| 935 | - <NumberOfPeaksNecessaryToResolveDominantZone> 42 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 936 | - | |
| 937 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 938 | - | |
| 939 | - <EquivalentLatticeCandidates> | |
| 940 | - <LatticeCandidate> | |
| 941 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 942 | - <LatticeParameters> 3.1048e+000 2.2487e+001 2.4048e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 943 | - </LatticeCandidate> | |
| 944 | - <LatticeCandidate> | |
| 945 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 946 | - <LatticeParameters> 3.1048e+000 1.6015e+001 1.7110e+001 9.3313e+001 9.5206e+001 9.5563e+001 </LatticeParameters> | |
| 947 | - </LatticeCandidate> | |
| 948 | - </EquivalentLatticeCandidates> | |
| 949 | - | |
| 950 | - </LatticeCandidate> | |
| 951 | - | |
| 952 | - <LatticeCandidate number="03026331"> | |
| 953 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 954 | - | |
| 955 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 956 | - <ReducedLatticeParameters> 4.0237e+001 4.1692e+000 2.9117e+001 9.0000e+001 1.2172e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 957 | - <OptimizedLatticeParameters> 4.0237e+001 4.1692e+000 2.9117e+001 9.0000e+001 1.2172e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 958 | - | |
| 959 | - <VolumeOfUnitCell> 4.1550e+003 </VolumeOfUnitCell> | |
| 960 | - <FigureOfMeritWolff name="M20"> 3.1234e+000 </FigureOfMeritWolff> | |
| 961 | - <FigureOfMeritWu name="Mwu20"> 3.2594e+000 </FigureOfMeritWu> | |
| 962 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.2224e+000 </ReversedFigureOfMeritWolff> | |
| 963 | - <SymmetricFigureOfMeritWolff name="Msym20"> 3.8180e+000 </SymmetricFigureOfMeritWolff> | |
| 964 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 965 | - <NumberOfMillerIndicesInRange> 9.1500e+001 </NumberOfMillerIndicesInRange> | |
| 966 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 967 | - <NumberOfPeaksNecessaryToResolveDominantZone> 20 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 968 | - | |
| 969 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 970 | - | |
| 971 | - <EquivalentLatticeCandidates> | |
| 972 | - <LatticeCandidate> | |
| 973 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 974 | - <LatticeParameters> 3.6595e+001 3.6595e+001 4.1684e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 975 | - </LatticeCandidate> | |
| 976 | - <LatticeCandidate> | |
| 977 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 978 | - <LatticeParameters> 4.1735e+000 2.8356e+001 3.4150e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 979 | - </LatticeCandidate> | |
| 980 | - <LatticeCandidate> | |
| 981 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 982 | - <LatticeParameters> 4.1735e+000 2.0169e+001 2.5342e+001 7.8721e+001 8.5277e+001 8.4061e+001 </LatticeParameters> | |
| 983 | - </LatticeCandidate> | |
| 984 | - </EquivalentLatticeCandidates> | |
| 985 | - | |
| 986 | - </LatticeCandidate> | |
| 987 | - | |
| 988 | - <LatticeCandidate number="03051003"> | |
| 989 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 990 | - | |
| 991 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 992 | - <ReducedLatticeParameters> 2.4037e+001 3.1313e+000 1.9332e+001 9.0000e+001 1.0127e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 993 | - <OptimizedLatticeParameters> 2.4037e+001 3.1313e+000 1.9332e+001 9.0000e+001 1.0127e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 994 | - | |
| 995 | - <VolumeOfUnitCell> 1.4270e+003 </VolumeOfUnitCell> | |
| 996 | - <FigureOfMeritWolff name="M20"> 3.0812e+000 </FigureOfMeritWolff> | |
| 997 | - <FigureOfMeritWu name="Mwu20"> 3.1126e+000 </FigureOfMeritWu> | |
| 998 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1231e+000 </ReversedFigureOfMeritWolff> | |
| 999 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.5415e+000 </SymmetricFigureOfMeritWolff> | |
| 1000 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1001 | - <NumberOfMillerIndicesInRange> 3.0500e+001 </NumberOfMillerIndicesInRange> | |
| 1002 | - <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks> | |
| 1003 | - <NumberOfPeaksNecessaryToResolveDominantZone> 42 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1004 | - | |
| 1005 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 1006 | - | |
| 1007 | - <EquivalentLatticeCandidates> | |
| 1008 | - <LatticeCandidate> | |
| 1009 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1010 | - <LatticeParameters> 3.1373e+000 1.2123e+001 1.9323e+001 1.0135e+002 9.0000e+001 9.7435e+001 </LatticeParameters> | |
| 1011 | - </LatticeCandidate> | |
| 1012 | - </EquivalentLatticeCandidates> | |
| 1013 | - | |
| 1014 | - </LatticeCandidate> | |
| 1015 | - | |
| 1016 | - <LatticeCandidate number="03033817"> | |
| 1017 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1018 | - | |
| 1019 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1020 | - <ReducedLatticeParameters> 2.4385e+001 1.0292e+001 1.1221e+001 9.0000e+001 9.7635e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1021 | - <OptimizedLatticeParameters> 2.4385e+001 1.0292e+001 1.1221e+001 9.0000e+001 9.7635e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1022 | - | |
| 1023 | - <VolumeOfUnitCell> 2.7912e+003 </VolumeOfUnitCell> | |
| 1024 | - <FigureOfMeritWolff name="M20"> 3.0748e+000 </FigureOfMeritWolff> | |
| 1025 | - <FigureOfMeritWu name="Mwu20"> 2.7716e+000 </FigureOfMeritWu> | |
| 1026 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8715e+000 </ReversedFigureOfMeritWolff> | |
| 1027 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.7546e+000 </SymmetricFigureOfMeritWolff> | |
| 1028 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1029 | - <NumberOfMillerIndicesInRange> 4.7500e+001 </NumberOfMillerIndicesInRange> | |
| 1030 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1031 | - <NumberOfPeaksNecessaryToResolveDominantZone> 7 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1032 | - | |
| 1033 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 1034 | - | |
| 1035 | - <EquivalentLatticeCandidates> | |
| 1036 | - <LatticeCandidate> | |
| 1037 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1038 | - <LatticeParameters> 1.5735e+001 1.5735e+001 1.1335e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1039 | - </LatticeCandidate> | |
| 1040 | - <LatticeCandidate> | |
| 1041 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1042 | - <LatticeParameters> 1.0300e+001 1.1223e+001 1.3247e+001 8.2880e+001 6.7122e+001 9.0000e+001 </LatticeParameters> | |
| 1043 | - </LatticeCandidate> | |
| 1044 | - </EquivalentLatticeCandidates> | |
| 1045 | - | |
| 1046 | - </LatticeCandidate> | |
| 1047 | - | |
| 1048 | - <LatticeCandidate number="03020325"> | |
| 1049 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1050 | - | |
| 1051 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1052 | - <ReducedLatticeParameters> 2.2492e+001 2.3009e+001 1.5226e+001 9.0000e+001 1.2611e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1053 | - <OptimizedLatticeParameters> 2.2492e+001 2.3009e+001 1.5226e+001 9.0000e+001 1.2611e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1054 | - | |
| 1055 | - <VolumeOfUnitCell> 6.3658e+003 </VolumeOfUnitCell> | |
| 1056 | - <FigureOfMeritWolff name="M20"> 3.0693e+000 </FigureOfMeritWolff> | |
| 1057 | - <FigureOfMeritWu name="Mwu20"> 2.4927e+000 </FigureOfMeritWu> | |
| 1058 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.3754e+000 </ReversedFigureOfMeritWolff> | |
| 1059 | - <SymmetricFigureOfMeritWolff name="Msym20"> 4.2216e+000 </SymmetricFigureOfMeritWolff> | |
| 1060 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1061 | - <NumberOfMillerIndicesInRange> 9.7500e+001 </NumberOfMillerIndicesInRange> | |
| 1062 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1063 | - <NumberOfPeaksNecessaryToResolveDominantZone> 4 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1064 | - | |
| 1065 | - <NumberOfLatticesInNeighborhood> 19 </NumberOfLatticesInNeighborhood> | |
| 1066 | - | |
| 1067 | - <EquivalentLatticeCandidates> | |
| 1068 | - <LatticeCandidate> | |
| 1069 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1070 | - <LatticeParameters> 2.3360e+001 2.3360e+001 1.6307e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1071 | - </LatticeCandidate> | |
| 1072 | - <LatticeCandidate> | |
| 1073 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1074 | - <LatticeParameters> 2.3360e+001 2.3360e+001 1.5654e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1075 | - </LatticeCandidate> | |
| 1076 | - <LatticeCandidate> | |
| 1077 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1078 | - <LatticeParameters> 1.7532e+001 1.7532e+001 3.7913e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1079 | - </LatticeCandidate> | |
| 1080 | - <LatticeCandidate> | |
| 1081 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1082 | - <LatticeParameters> 2.3716e+001 2.3716e+001 1.7597e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1083 | - </LatticeCandidate> | |
| 1084 | - <LatticeCandidate> | |
| 1085 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1086 | - <LatticeParameters> 2.3716e+001 2.3716e+001 1.6282e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1087 | - </LatticeCandidate> | |
| 1088 | - <LatticeCandidate> | |
| 1089 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1090 | - <LatticeParameters> 2.4512e+001 2.4512e+001 1.5006e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1091 | - </LatticeCandidate> | |
| 1092 | - <LatticeCandidate> | |
| 1093 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1094 | - <LatticeParameters> 2.4512e+001 2.4512e+001 1.4166e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1095 | - </LatticeCandidate> | |
| 1096 | - <LatticeCandidate> | |
| 1097 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1098 | - <LatticeParameters> 1.6356e+001 1.6356e+001 4.2864e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1099 | - </LatticeCandidate> | |
| 1100 | - <LatticeCandidate> | |
| 1101 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1102 | - <LatticeParameters> 1.5929e+001 1.5929e+001 4.2864e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1103 | - </LatticeCandidate> | |
| 1104 | - <LatticeCandidate> | |
| 1105 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1106 | - <LatticeParameters> 1.6834e+001 2.5275e+001 2.8576e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1107 | - </LatticeCandidate> | |
| 1108 | - <LatticeCandidate> | |
| 1109 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1110 | - <LatticeParameters> 1.5115e+001 1.8214e+001 2.3037e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1111 | - </LatticeCandidate> | |
| 1112 | - <LatticeCandidate> | |
| 1113 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1114 | - <LatticeParameters> 1.6834e+001 1.6834e+001 2.2079e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1115 | - </LatticeCandidate> | |
| 1116 | - <LatticeCandidate> | |
| 1117 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1118 | - <LatticeParameters> 1.5211e+001 1.6090e+001 1.6090e+001 9.1430e+001 1.1413e+002 1.1413e+002 </LatticeParameters> | |
| 1119 | - </LatticeCandidate> | |
| 1120 | - </EquivalentLatticeCandidates> | |
| 1121 | - | |
| 1122 | - </LatticeCandidate> | |
| 1123 | - | |
| 1124 | - <LatticeCandidate number="03022328"> | |
| 1125 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1126 | - | |
| 1127 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1128 | - <ReducedLatticeParameters> 2.0450e+001 1.9760e+001 1.6451e+001 9.0000e+001 1.2431e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1129 | - <OptimizedLatticeParameters> 2.0450e+001 1.9760e+001 1.6451e+001 9.0000e+001 1.2431e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1130 | - | |
| 1131 | - <VolumeOfUnitCell> 5.4912e+003 </VolumeOfUnitCell> | |
| 1132 | - <FigureOfMeritWolff name="M20"> 3.0605e+000 </FigureOfMeritWolff> | |
| 1133 | - <FigureOfMeritWu name="Mwu20"> 2.6921e+000 </FigureOfMeritWu> | |
| 1134 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.2138e+000 </ReversedFigureOfMeritWolff> | |
| 1135 | - <SymmetricFigureOfMeritWolff name="Msym20"> 3.7147e+000 </SymmetricFigureOfMeritWolff> | |
| 1136 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1137 | - <NumberOfMillerIndicesInRange> 7.8500e+001 </NumberOfMillerIndicesInRange> | |
| 1138 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1139 | - <NumberOfPeaksNecessaryToResolveDominantZone> 5 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1140 | - | |
| 1141 | - <NumberOfLatticesInNeighborhood> 15 </NumberOfLatticesInNeighborhood> | |
| 1142 | - | |
| 1143 | - <EquivalentLatticeCandidates> | |
| 1144 | - <LatticeCandidate> | |
| 1145 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1146 | - <LatticeParameters> 2.6456e+001 2.6456e+001 1.3343e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1147 | - </LatticeCandidate> | |
| 1148 | - <LatticeCandidate> | |
| 1149 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1150 | - <LatticeParameters> 2.6456e+001 2.6456e+001 1.3593e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1151 | - </LatticeCandidate> | |
| 1152 | - <LatticeCandidate> | |
| 1153 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1154 | - <LatticeParameters> 2.1262e+001 2.1262e+001 1.6469e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1155 | - </LatticeCandidate> | |
| 1156 | - <LatticeCandidate> | |
| 1157 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1158 | - <LatticeParameters> 2.1262e+001 2.1262e+001 1.4019e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1159 | - </LatticeCandidate> | |
| 1160 | - <LatticeCandidate> | |
| 1161 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1162 | - <LatticeParameters> 2.1671e+001 2.1671e+001 1.6800e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1163 | - </LatticeCandidate> | |
| 1164 | - <LatticeCandidate> | |
| 1165 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1166 | - <LatticeParameters> 2.1671e+001 2.1671e+001 1.3935e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1167 | - </LatticeCandidate> | |
| 1168 | - <LatticeCandidate> | |
| 1169 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1170 | - <LatticeParameters> 2.1074e+001 2.1074e+001 1.7506e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1171 | - </LatticeCandidate> | |
| 1172 | - <LatticeCandidate> | |
| 1173 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1174 | - <LatticeParameters> 2.1074e+001 2.1074e+001 1.4642e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1175 | - </LatticeCandidate> | |
| 1176 | - <LatticeCandidate> | |
| 1177 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1178 | - <LatticeParameters> 1.6168e+001 1.6168e+001 3.7054e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1179 | - </LatticeCandidate> | |
| 1180 | - <LatticeCandidate> | |
| 1181 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1182 | - <LatticeParameters> 1.5615e+001 1.5615e+001 3.8481e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1183 | - </LatticeCandidate> | |
| 1184 | - <LatticeCandidate> | |
| 1185 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1186 | - <LatticeParameters> 1.4702e+001 1.4702e+001 3.8481e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1187 | - </LatticeCandidate> | |
| 1188 | - <LatticeCandidate> | |
| 1189 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1190 | - <LatticeParameters> 1.9771e+001 2.0393e+001 2.7181e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1191 | - </LatticeCandidate> | |
| 1192 | - <LatticeCandidate> | |
| 1193 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1194 | - <LatticeParameters> 1.5818e+001 2.5654e+001 2.5654e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1195 | - </LatticeCandidate> | |
| 1196 | - <LatticeCandidate> | |
| 1197 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1198 | - <LatticeParameters> 1.5818e+001 1.6856e+001 1.9771e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1199 | - </LatticeCandidate> | |
| 1200 | - <LatticeCandidate> | |
| 1201 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1202 | - <LatticeParameters> 1.4195e+001 1.4195e+001 2.7181e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1203 | - </LatticeCandidate> | |
| 1204 | - <LatticeCandidate> | |
| 1205 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1206 | - <LatticeParameters> 1.4218e+001 1.4218e+001 1.6478e+001 6.6019e+001 6.6019e+001 8.8100e+001 </LatticeParameters> | |
| 1207 | - </LatticeCandidate> | |
| 1208 | - </EquivalentLatticeCandidates> | |
| 1209 | - | |
| 1210 | - </LatticeCandidate> | |
| 1211 | - | |
| 1212 | - <LatticeCandidate number="03066257"> | |
| 1213 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1214 | - | |
| 1215 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1216 | - <ReducedLatticeParameters> 4.0802e+000 1.3682e+001 1.2266e+001 9.0000e+001 9.2550e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1217 | - <OptimizedLatticeParameters> 4.0802e+000 1.3682e+001 1.2266e+001 9.0000e+001 9.2550e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1218 | - | |
| 1219 | - <VolumeOfUnitCell> 6.8408e+002 </VolumeOfUnitCell> | |
| 1220 | - <FigureOfMeritWolff name="M20"> 3.0587e+000 </FigureOfMeritWolff> | |
| 1221 | - <FigureOfMeritWu name="Mwu20"> 2.1780e+000 </FigureOfMeritWu> | |
| 1222 | - <ReversedFigureOfMeritWolff name="Mrev20"> 3.0897e+000 </ReversedFigureOfMeritWolff> | |
| 1223 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.4505e+000 </SymmetricFigureOfMeritWolff> | |
| 1224 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1225 | - <NumberOfMillerIndicesInRange> 1.4000e+001 </NumberOfMillerIndicesInRange> | |
| 1226 | - <NumberOfIndexedPeaks> 12 </NumberOfIndexedPeaks> | |
| 1227 | - <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1228 | - | |
| 1229 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 1230 | - | |
| 1231 | - <EquivalentLatticeCandidates> | |
| 1232 | - <LatticeCandidate> | |
| 1233 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1234 | - <LatticeParameters> 4.0802e+000 7.1389e+000 1.2266e+001 8.9272e+001 8.7450e+001 7.3395e+001 </LatticeParameters> | |
| 1235 | - </LatticeCandidate> | |
| 1236 | - </EquivalentLatticeCandidates> | |
| 1237 | - | |
| 1238 | - </LatticeCandidate> | |
| 1239 | - | |
| 1240 | - <LatticeCandidate number="03028048"> | |
| 1241 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1242 | - | |
| 1243 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1244 | - <ReducedLatticeParameters> 4.0125e+001 3.0493e+000 3.2742e+001 9.0000e+001 1.1000e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1245 | - <OptimizedLatticeParameters> 4.0125e+001 3.0493e+000 3.2742e+001 9.0000e+001 1.1000e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1246 | - | |
| 1247 | - <VolumeOfUnitCell> 3.7644e+003 </VolumeOfUnitCell> | |
| 1248 | - <FigureOfMeritWolff name="M20"> 3.0509e+000 </FigureOfMeritWolff> | |
| 1249 | - <FigureOfMeritWu name="Mwu20"> 2.6946e+000 </FigureOfMeritWu> | |
| 1250 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4718e+000 </ReversedFigureOfMeritWolff> | |
| 1251 | - <SymmetricFigureOfMeritWolff name="Msym20"> 4.4903e+000 </SymmetricFigureOfMeritWolff> | |
| 1252 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1253 | - <NumberOfMillerIndicesInRange> 7.2500e+001 </NumberOfMillerIndicesInRange> | |
| 1254 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1255 | - <NumberOfPeaksNecessaryToResolveDominantZone> 43 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1256 | - | |
| 1257 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 1258 | - | |
| 1259 | - <EquivalentLatticeCandidates> | |
| 1260 | - <LatticeCandidate> | |
| 1261 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1262 | - <LatticeParameters> 3.0492e+000 2.9252e+001 3.7709e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1263 | - </LatticeCandidate> | |
| 1264 | - <LatticeCandidate> | |
| 1265 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1266 | - <LatticeParameters> 3.0492e+000 2.0132e+001 3.2030e+001 1.0575e+002 9.2728e+001 9.4343e+001 </LatticeParameters> | |
| 1267 | - </LatticeCandidate> | |
| 1268 | - </EquivalentLatticeCandidates> | |
| 1269 | - | |
| 1270 | - </LatticeCandidate> | |
| 1271 | - | |
| 1272 | - <LatticeCandidate number="03066223"> | |
| 1273 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1274 | - | |
| 1275 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1276 | - <ReducedLatticeParameters> 1.9360e+001 4.0542e+000 9.1858e+000 9.0000e+001 1.0741e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1277 | - <OptimizedLatticeParameters> 1.9360e+001 4.0542e+000 9.1858e+000 9.0000e+001 1.0741e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1278 | - | |
| 1279 | - <VolumeOfUnitCell> 6.8793e+002 </VolumeOfUnitCell> | |
| 1280 | - <FigureOfMeritWolff name="M20"> 3.0477e+000 </FigureOfMeritWolff> | |
| 1281 | - <FigureOfMeritWu name="Mwu20"> 2.2761e+000 </FigureOfMeritWu> | |
| 1282 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.8753e+000 </ReversedFigureOfMeritWolff> | |
| 1283 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.7630e+000 </SymmetricFigureOfMeritWolff> | |
| 1284 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1285 | - <NumberOfMillerIndicesInRange> 1.7500e+001 </NumberOfMillerIndicesInRange> | |
| 1286 | - <NumberOfIndexedPeaks> 14 </NumberOfIndexedPeaks> | |
| 1287 | - <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1288 | - | |
| 1289 | - <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood> | |
| 1290 | - | |
| 1291 | - <EquivalentLatticeCandidates> | |
| 1292 | - <LatticeCandidate> | |
| 1293 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1294 | - <LatticeParameters> 4.0546e+000 9.1825e+000 9.8895e+000 7.3115e+001 7.8171e+001 9.0000e+001 </LatticeParameters> | |
| 1295 | - </LatticeCandidate> | |
| 1296 | - </EquivalentLatticeCandidates> | |
| 1297 | - | |
| 1298 | - </LatticeCandidate> | |
| 1299 | - | |
| 1300 | - <LatticeCandidate number="03034242"> | |
| 1301 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1302 | - | |
| 1303 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1304 | - <ReducedLatticeParameters> 4.9488e+000 1.0216e+002 5.7477e+000 9.0000e+001 1.0990e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1305 | - <OptimizedLatticeParameters> 4.9488e+000 1.0216e+002 5.7477e+000 9.0000e+001 1.0990e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1306 | - | |
| 1307 | - <VolumeOfUnitCell> 2.7324e+003 </VolumeOfUnitCell> | |
| 1308 | - <FigureOfMeritWolff name="M20"> 3.0179e+000 </FigureOfMeritWolff> | |
| 1309 | - <FigureOfMeritWu name="Mwu20"> 2.7915e+000 </FigureOfMeritWu> | |
| 1310 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.4536e+000 </ReversedFigureOfMeritWolff> | |
| 1311 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.4047e+000 </SymmetricFigureOfMeritWolff> | |
| 1312 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1313 | - <NumberOfMillerIndicesInRange> 3.4000e+001 </NumberOfMillerIndicesInRange> | |
| 1314 | - <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks> | |
| 1315 | - <NumberOfPeaksNecessaryToResolveDominantZone> 19 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1316 | - | |
| 1317 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 1318 | - | |
| 1319 | - <EquivalentLatticeCandidates> | |
| 1320 | - <LatticeCandidate> | |
| 1321 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1322 | - <LatticeParameters> 1.0184e+001 1.0184e+001 5.7431e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1323 | - </LatticeCandidate> | |
| 1324 | - <LatticeCandidate> | |
| 1325 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1326 | - <LatticeParameters> 5.7661e+000 5.7661e+000 1.5319e+002 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1327 | - </LatticeCandidate> | |
| 1328 | - <LatticeCandidate> | |
| 1329 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1330 | - <LatticeParameters> 4.9265e+000 1.0839e+001 1.0213e+002 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1331 | - </LatticeCandidate> | |
| 1332 | - <LatticeCandidate> | |
| 1333 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1334 | - <LatticeParameters> 5.5746e+000 9.2281e+000 9.3043e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1335 | - </LatticeCandidate> | |
| 1336 | - <LatticeCandidate> | |
| 1337 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1338 | - <LatticeParameters> 4.9494e+000 5.7601e+000 5.1124e+001 8.9061e+001 8.7225e+001 7.0206e+001 </LatticeParameters> | |
| 1339 | - </LatticeCandidate> | |
| 1340 | - </EquivalentLatticeCandidates> | |
| 1341 | - | |
| 1342 | - </LatticeCandidate> | |
| 1343 | - | |
| 1344 | - | |
| 1345 | - | |
| 1346 | - <!-- Candidates for Monoclinic(P) --> | |
| 1347 | - | |
| 1348 | - <LatticeCandidate number="02015609"> | |
| 1349 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 1350 | - | |
| 1351 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1352 | - <ReducedLatticeParameters> 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1353 | - <OptimizedLatticeParameters> 8.8190e+000 9.7563e+000 9.7826e+000 9.0000e+001 1.0430e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1354 | - | |
| 1355 | - <VolumeOfUnitCell> 8.1561e+002 </VolumeOfUnitCell> | |
| 1356 | - <FigureOfMeritWolff name="M20"> 2.7514e+002 </FigureOfMeritWolff> | |
| 1357 | - <FigureOfMeritWu name="Mwu20"> 2.0636e+002 </FigureOfMeritWu> | |
| 1358 | - <ReversedFigureOfMeritWolff name="Mrev20"> 3.8134e+000 </ReversedFigureOfMeritWolff> | |
| 1359 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.0492e+003 </SymmetricFigureOfMeritWolff> | |
| 1360 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1361 | - <NumberOfMillerIndicesInRange> 2.6500e+001 </NumberOfMillerIndicesInRange> | |
| 1362 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1363 | - <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1364 | - | |
| 1365 | - <NumberOfLatticesInNeighborhood> 16 </NumberOfLatticesInNeighborhood> | |
| 1366 | - | |
| 1367 | - <EquivalentLatticeCandidates> | |
| 1368 | - </EquivalentLatticeCandidates> | |
| 1369 | - | |
| 1370 | - </LatticeCandidate> | |
| 1371 | - | |
| 1372 | - <LatticeCandidate number="02011452"> | |
| 1373 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 1374 | - | |
| 1375 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1376 | - <ReducedLatticeParameters> 8.1006e+000 6.4305e+000 2.3837e+001 9.0000e+001 9.3591e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1377 | - <OptimizedLatticeParameters> 8.1006e+000 6.4305e+000 2.3837e+001 9.0000e+001 9.3591e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1378 | - | |
| 1379 | - <VolumeOfUnitCell> 1.2393e+003 </VolumeOfUnitCell> | |
| 1380 | - <FigureOfMeritWolff name="M20"> 3.8018e+000 </FigureOfMeritWolff> | |
| 1381 | - <FigureOfMeritWu name="Mwu20"> 3.5255e+000 </FigureOfMeritWu> | |
| 1382 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.2516e+000 </ReversedFigureOfMeritWolff> | |
| 1383 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.5603e+000 </SymmetricFigureOfMeritWolff> | |
| 1384 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1385 | - <NumberOfMillerIndicesInRange> 4.6000e+001 </NumberOfMillerIndicesInRange> | |
| 1386 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1387 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1388 | - | |
| 1389 | - <NumberOfLatticesInNeighborhood> 12 </NumberOfLatticesInNeighborhood> | |
| 1390 | - | |
| 1391 | - <EquivalentLatticeCandidates> | |
| 1392 | - <LatticeCandidate> | |
| 1393 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1394 | - <LatticeParameters> 6.3770e+000 4.7394e+001 8.0893e+000 9.0000e+001 9.0462e+001 9.0000e+001 </LatticeParameters> | |
| 1395 | - </LatticeCandidate> | |
| 1396 | - <LatticeCandidate> | |
| 1397 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1398 | - <LatticeParameters> 1.0079e+001 1.0072e+001 2.3713e+001 9.0000e+001 9.2136e+001 9.0000e+001 </LatticeParameters> | |
| 1399 | - </LatticeCandidate> | |
| 1400 | - <LatticeCandidate> | |
| 1401 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1402 | - <LatticeParameters> 1.0079e+001 9.9276e+000 2.4058e+001 9.0000e+001 9.9947e+001 9.0000e+001 </LatticeParameters> | |
| 1403 | - </LatticeCandidate> | |
| 1404 | - <LatticeCandidate> | |
| 1405 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1406 | - <LatticeParameters> 8.0541e+000 4.7394e+001 6.4353e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1407 | - </LatticeCandidate> | |
| 1408 | - <LatticeCandidate> | |
| 1409 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1410 | - <LatticeParameters> 1.0200e+001 4.7394e+001 6.3775e+000 9.0000e+001 1.2785e+002 9.0000e+001 </LatticeParameters> | |
| 1411 | - </LatticeCandidate> | |
| 1412 | - </EquivalentLatticeCandidates> | |
| 1413 | - | |
| 1414 | - </LatticeCandidate> | |
| 1415 | - | |
| 1416 | - <LatticeCandidate number="02011366"> | |
| 1417 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 1418 | - | |
| 1419 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1420 | - <ReducedLatticeParameters> 1.7583e+001 4.2265e+000 1.8067e+001 9.0000e+001 1.1239e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1421 | - <OptimizedLatticeParameters> 1.7583e+001 4.2265e+000 1.8067e+001 9.0000e+001 1.1239e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1422 | - | |
| 1423 | - <VolumeOfUnitCell> 1.2415e+003 </VolumeOfUnitCell> | |
| 1424 | - <FigureOfMeritWolff name="M20"> 3.7779e+000 </FigureOfMeritWolff> | |
| 1425 | - <FigureOfMeritWu name="Mwu20"> 2.8661e+000 </FigureOfMeritWu> | |
| 1426 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8305e+000 </ReversedFigureOfMeritWolff> | |
| 1427 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.9154e+000 </SymmetricFigureOfMeritWolff> | |
| 1428 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1429 | - <NumberOfMillerIndicesInRange> 5.6000e+001 </NumberOfMillerIndicesInRange> | |
| 1430 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1431 | - <NumberOfPeaksNecessaryToResolveDominantZone> 22 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1432 | - | |
| 1433 | - <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood> | |
| 1434 | - | |
| 1435 | - <EquivalentLatticeCandidates> | |
| 1436 | - <LatticeCandidate> | |
| 1437 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1438 | - <LatticeParameters> 3.2475e+001 3.2475e+001 4.1968e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1439 | - </LatticeCandidate> | |
| 1440 | - <LatticeCandidate> | |
| 1441 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1442 | - <LatticeParameters> 3.2475e+001 3.2475e+001 4.1871e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1443 | - </LatticeCandidate> | |
| 1444 | - <LatticeCandidate> | |
| 1445 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1446 | - <LatticeParameters> 3.6046e+001 4.2054e+000 1.7579e+001 9.0000e+001 1.1236e+002 9.0000e+001 </LatticeParameters> | |
| 1447 | - </LatticeCandidate> | |
| 1448 | - <LatticeCandidate> | |
| 1449 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1450 | - <LatticeParameters> 1.9811e+001 2.9568e+001 4.2393e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1451 | - </LatticeCandidate> | |
| 1452 | - <LatticeCandidate> | |
| 1453 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1454 | - <LatticeParameters> 2.0235e+001 2.9568e+001 4.1964e+000 9.0000e+001 1.0175e+002 9.0000e+001 </LatticeParameters> | |
| 1455 | - </LatticeCandidate> | |
| 1456 | - <LatticeCandidate> | |
| 1457 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1458 | - <LatticeParameters> 1.7842e+001 3.2514e+001 4.2393e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1459 | - </LatticeCandidate> | |
| 1460 | - <LatticeCandidate> | |
| 1461 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1462 | - <LatticeParameters> 1.8258e+001 3.2514e+001 4.2044e+000 9.0000e+001 1.0226e+002 9.0000e+001 </LatticeParameters> | |
| 1463 | - </LatticeCandidate> | |
| 1464 | - </EquivalentLatticeCandidates> | |
| 1465 | - | |
| 1466 | - </LatticeCandidate> | |
| 1467 | - | |
| 1468 | - <LatticeCandidate number="02012431"> | |
| 1469 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 1470 | - | |
| 1471 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1472 | - <ReducedLatticeParameters> 4.0276e+000 6.3820e+000 4.4594e+001 9.0000e+001 9.1099e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1473 | - <OptimizedLatticeParameters> 4.0276e+000 6.3820e+000 4.4594e+001 9.0000e+001 9.1099e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1474 | - | |
| 1475 | - <VolumeOfUnitCell> 1.1460e+003 </VolumeOfUnitCell> | |
| 1476 | - <FigureOfMeritWolff name="M20"> 3.5907e+000 </FigureOfMeritWolff> | |
| 1477 | - <FigureOfMeritWu name="Mwu20"> 3.0487e+000 </FigureOfMeritWu> | |
| 1478 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5614e+000 </ReversedFigureOfMeritWolff> | |
| 1479 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.6065e+000 </SymmetricFigureOfMeritWolff> | |
| 1480 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1481 | - <NumberOfMillerIndicesInRange> 5.3000e+001 </NumberOfMillerIndicesInRange> | |
| 1482 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1483 | - <NumberOfPeaksNecessaryToResolveDominantZone> 35 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1484 | - | |
| 1485 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 1486 | - | |
| 1487 | - <EquivalentLatticeCandidates> | |
| 1488 | - <LatticeCandidate> | |
| 1489 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 1490 | - <LatticeParameters> 5.5608e+000 5.5608e+000 1.3389e+002 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 1491 | - </LatticeCandidate> | |
| 1492 | - <LatticeCandidate> | |
| 1493 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1494 | - <LatticeParameters> 6.8000e+000 8.0562e+000 1.2634e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1495 | - </LatticeCandidate> | |
| 1496 | - <LatticeCandidate> | |
| 1497 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1498 | - <LatticeParameters> 3.8404e+000 1.2763e+001 8.9261e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1499 | - </LatticeCandidate> | |
| 1500 | - <LatticeCandidate> | |
| 1501 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1502 | - <LatticeParameters> 1.2763e+001 3.8404e+000 4.5084e+001 9.0000e+001 9.8137e+001 9.0000e+001 </LatticeParameters> | |
| 1503 | - </LatticeCandidate> | |
| 1504 | - <LatticeCandidate> | |
| 1505 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1506 | - <LatticeParameters> 6.8132e+000 6.8125e+000 4.4635e+001 9.0000e+001 9.0806e+001 9.0000e+001 </LatticeParameters> | |
| 1507 | - </LatticeCandidate> | |
| 1508 | - <LatticeCandidate> | |
| 1509 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1510 | - <LatticeParameters> 6.8132e+000 6.8000e+000 4.4717e+001 9.0000e+001 9.3563e+001 9.0000e+001 </LatticeParameters> | |
| 1511 | - </LatticeCandidate> | |
| 1512 | - <LatticeCandidate> | |
| 1513 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1514 | - <LatticeParameters> 6.3651e+000 8.9261e+001 4.0281e+000 9.0000e+001 9.0068e+001 9.0000e+001 </LatticeParameters> | |
| 1515 | - </LatticeCandidate> | |
| 1516 | - <LatticeCandidate> | |
| 1517 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1518 | - <LatticeParameters> 7.5251e+000 8.9261e+001 4.0271e+000 9.0000e+001 1.2224e+002 9.0000e+001 </LatticeParameters> | |
| 1519 | - </LatticeCandidate> | |
| 1520 | - <LatticeCandidate> | |
| 1521 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1522 | - <LatticeParameters> 4.0270e+000 8.9261e+001 6.3813e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1523 | - </LatticeCandidate> | |
| 1524 | - <LatticeCandidate> | |
| 1525 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1526 | - <LatticeParameters> 3.8418e+000 1.2763e+001 4.4636e+001 9.0000e+001 9.0909e+001 9.0000e+001 </LatticeParameters> | |
| 1527 | - </LatticeCandidate> | |
| 1528 | - </EquivalentLatticeCandidates> | |
| 1529 | - | |
| 1530 | - </LatticeCandidate> | |
| 1531 | - | |
| 1532 | - <LatticeCandidate number="02012051"> | |
| 1533 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 1534 | - | |
| 1535 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1536 | - <ReducedLatticeParameters> 4.1485e+000 1.2923e+001 2.1952e+001 9.0000e+001 9.3278e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1537 | - <OptimizedLatticeParameters> 4.1485e+000 1.2923e+001 2.1952e+001 9.0000e+001 9.3278e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1538 | - | |
| 1539 | - <VolumeOfUnitCell> 1.1749e+003 </VolumeOfUnitCell> | |
| 1540 | - <FigureOfMeritWolff name="M20"> 3.2163e+000 </FigureOfMeritWolff> | |
| 1541 | - <FigureOfMeritWu name="Mwu20"> 2.4771e+000 </FigureOfMeritWu> | |
| 1542 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6514e+000 </ReversedFigureOfMeritWolff> | |
| 1543 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.3116e+000 </SymmetricFigureOfMeritWolff> | |
| 1544 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1545 | - <NumberOfMillerIndicesInRange> 4.5000e+001 </NumberOfMillerIndicesInRange> | |
| 1546 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1547 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1548 | - | |
| 1549 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 1550 | - | |
| 1551 | - <EquivalentLatticeCandidates> | |
| 1552 | - <LatticeCandidate> | |
| 1553 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1554 | - <LatticeParameters> 4.0966e+000 2.5845e+001 4.3885e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1555 | - </LatticeCandidate> | |
| 1556 | - <LatticeCandidate> | |
| 1557 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1558 | - <LatticeParameters> 2.5845e+001 4.0966e+000 2.5465e+001 9.0000e+001 1.2049e+002 9.0000e+001 </LatticeParameters> | |
| 1559 | - </LatticeCandidate> | |
| 1560 | - <LatticeCandidate> | |
| 1561 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1562 | - <LatticeParameters> 4.0989e+000 2.5845e+001 2.1982e+001 9.0000e+001 9.3422e+001 9.0000e+001 </LatticeParameters> | |
| 1563 | - </LatticeCandidate> | |
| 1564 | - <LatticeCandidate> | |
| 1565 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1566 | - <LatticeParameters> 4.1491e+000 4.3885e+001 1.2922e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1567 | - </LatticeCandidate> | |
| 1568 | - </EquivalentLatticeCandidates> | |
| 1569 | - | |
| 1570 | - </LatticeCandidate> | |
| 1571 | - | |
| 1572 | - <LatticeCandidate number="0208189"> | |
| 1573 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 1574 | - | |
| 1575 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1576 | - <ReducedLatticeParameters> 1.5633e+001 2.8853e+000 4.0700e+001 9.0000e+001 9.0429e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1577 | - <OptimizedLatticeParameters> 1.5633e+001 2.8853e+000 4.0700e+001 9.0000e+001 9.0429e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1578 | - | |
| 1579 | - <VolumeOfUnitCell> 1.8358e+003 </VolumeOfUnitCell> | |
| 1580 | - <FigureOfMeritWolff name="M20"> 3.1882e+000 </FigureOfMeritWolff> | |
| 1581 | - <FigureOfMeritWu name="Mwu20"> 3.1055e+000 </FigureOfMeritWu> | |
| 1582 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4844e+000 </ReversedFigureOfMeritWolff> | |
| 1583 | - <SymmetricFigureOfMeritWolff name="Msym20"> 4.7325e+000 </SymmetricFigureOfMeritWolff> | |
| 1584 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1585 | - <NumberOfMillerIndicesInRange> 6.9000e+001 </NumberOfMillerIndicesInRange> | |
| 1586 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1587 | - <NumberOfPeaksNecessaryToResolveDominantZone> 50 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1588 | - | |
| 1589 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 1590 | - | |
| 1591 | - <EquivalentLatticeCandidates> | |
| 1592 | - <LatticeCandidate> | |
| 1593 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 1594 | - <LatticeParameters> 2.8797e+000 1.5366e+001 8.1412e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1595 | - </LatticeCandidate> | |
| 1596 | - <LatticeCandidate> | |
| 1597 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1598 | - <LatticeParameters> 8.1412e+001 1.5366e+001 2.8815e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1599 | - </LatticeCandidate> | |
| 1600 | - <LatticeCandidate> | |
| 1601 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1602 | - <LatticeParameters> 8.1413e+001 2.8797e+000 1.5633e+001 9.0000e+001 9.0268e+001 9.0000e+001 </LatticeParameters> | |
| 1603 | - </LatticeCandidate> | |
| 1604 | - <LatticeCandidate> | |
| 1605 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1606 | - <LatticeParameters> 2.4852e+001 3.1266e+001 2.8815e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1607 | - </LatticeCandidate> | |
| 1608 | - <LatticeCandidate> | |
| 1609 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1610 | - <LatticeParameters> 2.4875e+001 3.1266e+001 2.8769e+000 9.0000e+001 9.2456e+001 9.0000e+001 </LatticeParameters> | |
| 1611 | - </LatticeCandidate> | |
| 1612 | - <LatticeCandidate> | |
| 1613 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1614 | - <LatticeParameters> 1.5615e+001 8.1412e+001 2.8797e+000 9.0000e+001 1.0025e+002 9.0000e+001 </LatticeParameters> | |
| 1615 | - </LatticeCandidate> | |
| 1616 | - <LatticeCandidate> | |
| 1617 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1618 | - <LatticeParameters> 2.8799e+000 3.1266e+001 1.4670e+001 9.0000e+001 9.4914e+001 9.0000e+001 </LatticeParameters> | |
| 1619 | - </LatticeCandidate> | |
| 1620 | - <LatticeCandidate> | |
| 1621 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1622 | - <LatticeParameters> 2.8797e+000 2.9233e+001 1.5699e+001 9.0000e+001 9.5253e+001 9.0000e+001 </LatticeParameters> | |
| 1623 | - </LatticeCandidate> | |
| 1624 | - </EquivalentLatticeCandidates> | |
| 1625 | - | |
| 1626 | - </LatticeCandidate> | |
| 1627 | - | |
| 1628 | - <LatticeCandidate number="0209363"> | |
| 1629 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 1630 | - | |
| 1631 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1632 | - <ReducedLatticeParameters> 7.5017e+000 4.3802e+000 4.7608e+001 9.0000e+001 9.3237e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1633 | - <OptimizedLatticeParameters> 7.5017e+000 4.3802e+000 4.7608e+001 9.0000e+001 9.3237e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1634 | - | |
| 1635 | - <VolumeOfUnitCell> 1.5619e+003 </VolumeOfUnitCell> | |
| 1636 | - <FigureOfMeritWolff name="M20"> 3.0741e+000 </FigureOfMeritWolff> | |
| 1637 | - <FigureOfMeritWu name="Mwu20"> 2.6084e+000 </FigureOfMeritWu> | |
| 1638 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5112e+000 </ReversedFigureOfMeritWolff> | |
| 1639 | - <SymmetricFigureOfMeritWolff name="Msym20"> 4.6456e+000 </SymmetricFigureOfMeritWolff> | |
| 1640 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1641 | - <NumberOfMillerIndicesInRange> 6.7500e+001 </NumberOfMillerIndicesInRange> | |
| 1642 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1643 | - <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1644 | - | |
| 1645 | - <NumberOfLatticesInNeighborhood> 12 </NumberOfLatticesInNeighborhood> | |
| 1646 | - | |
| 1647 | - <EquivalentLatticeCandidates> | |
| 1648 | - <LatticeCandidate> | |
| 1649 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1650 | - <LatticeParameters> 7.5038e+000 9.5042e+001 4.3713e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1651 | - </LatticeCandidate> | |
| 1652 | - <LatticeCandidate> | |
| 1653 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1654 | - <LatticeParameters> 8.6780e+000 9.5042e+001 4.3667e+000 9.0000e+001 1.2015e+002 9.0000e+001 </LatticeParameters> | |
| 1655 | - </LatticeCandidate> | |
| 1656 | - <LatticeCandidate> | |
| 1657 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1658 | - <LatticeParameters> 4.3667e+000 9.5042e+001 7.4936e+000 9.0000e+001 9.0149e+001 9.0000e+001 </LatticeParameters> | |
| 1659 | - </LatticeCandidate> | |
| 1660 | - </EquivalentLatticeCandidates> | |
| 1661 | - | |
| 1662 | - </LatticeCandidate> | |
| 1663 | - | |
| 1664 | - <LatticeCandidate number="02016808"> | |
| 1665 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 1666 | - | |
| 1667 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1668 | - <ReducedLatticeParameters> 1.4907e+001 2.9677e+000 1.6630e+001 9.0000e+001 1.0359e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1669 | - <OptimizedLatticeParameters> 1.4907e+001 2.9677e+000 1.6630e+001 9.0000e+001 1.0359e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1670 | - | |
| 1671 | - <VolumeOfUnitCell> 7.1509e+002 </VolumeOfUnitCell> | |
| 1672 | - <FigureOfMeritWolff name="M20"> 3.0412e+000 </FigureOfMeritWolff> | |
| 1673 | - <FigureOfMeritWu name="Mwu20"> 2.7889e+000 </FigureOfMeritWu> | |
| 1674 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.6549e+000 </ReversedFigureOfMeritWolff> | |
| 1675 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.0741e+000 </SymmetricFigureOfMeritWolff> | |
| 1676 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1677 | - <NumberOfMillerIndicesInRange> 2.7000e+001 </NumberOfMillerIndicesInRange> | |
| 1678 | - <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks> | |
| 1679 | - <NumberOfPeaksNecessaryToResolveDominantZone> 48 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1680 | - | |
| 1681 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 1682 | - | |
| 1683 | - <EquivalentLatticeCandidates> | |
| 1684 | - </EquivalentLatticeCandidates> | |
| 1685 | - | |
| 1686 | - </LatticeCandidate> | |
| 1687 | - | |
| 1688 | - <LatticeCandidate number="02014124"> | |
| 1689 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 1690 | - | |
| 1691 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1692 | - <ReducedLatticeParameters> 1.1296e+001 3.1994e+000 2.7149e+001 9.0000e+001 1.0001e+002 9.0000e+001 </ReducedLatticeParameters> | |
| 1693 | - <OptimizedLatticeParameters> 1.1296e+001 3.1994e+000 2.7149e+001 9.0000e+001 1.0001e+002 9.0000e+001 </OptimizedLatticeParameters> | |
| 1694 | - | |
| 1695 | - <VolumeOfUnitCell> 9.6625e+002 </VolumeOfUnitCell> | |
| 1696 | - <FigureOfMeritWolff name="M20"> 3.0263e+000 </FigureOfMeritWolff> | |
| 1697 | - <FigureOfMeritWu name="Mwu20"> 2.4392e+000 </FigureOfMeritWu> | |
| 1698 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6364e+000 </ReversedFigureOfMeritWolff> | |
| 1699 | - <SymmetricFigureOfMeritWolff name="Msym20"> 4.9523e+000 </SymmetricFigureOfMeritWolff> | |
| 1700 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1701 | - <NumberOfMillerIndicesInRange> 4.0500e+001 </NumberOfMillerIndicesInRange> | |
| 1702 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 1703 | - <NumberOfPeaksNecessaryToResolveDominantZone> 42 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1704 | - | |
| 1705 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 1706 | - | |
| 1707 | - <EquivalentLatticeCandidates> | |
| 1708 | - <LatticeCandidate> | |
| 1709 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1710 | - <LatticeParameters> 1.1315e+001 5.3385e+001 3.1983e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1711 | - </LatticeCandidate> | |
| 1712 | - <LatticeCandidate> | |
| 1713 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1714 | - <LatticeParameters> 1.1751e+001 5.3385e+001 3.1926e+000 9.0000e+001 1.0565e+002 9.0000e+001 </LatticeParameters> | |
| 1715 | - </LatticeCandidate> | |
| 1716 | - <LatticeCandidate> | |
| 1717 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1718 | - <LatticeParameters> 2.2643e+001 3.1650e+000 2.7490e+001 9.0000e+001 1.0383e+002 9.0000e+001 </LatticeParameters> | |
| 1719 | - </LatticeCandidate> | |
| 1720 | - <LatticeCandidate> | |
| 1721 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1722 | - <LatticeParameters> 3.1669e+000 2.2293e+001 2.6701e+001 9.0000e+001 9.1425e+001 9.0000e+001 </LatticeParameters> | |
| 1723 | - </LatticeCandidate> | |
| 1724 | - </EquivalentLatticeCandidates> | |
| 1725 | - | |
| 1726 | - </LatticeCandidate> | |
| 1727 | - | |
| 1728 | - <LatticeCandidate number="02010734"> | |
| 1729 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 1730 | - | |
| 1731 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1732 | - <ReducedLatticeParameters> 5.1423e+000 2.2495e+001 1.1313e+001 9.0000e+001 9.1370e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1733 | - <OptimizedLatticeParameters> 5.1423e+000 2.2495e+001 1.1313e+001 9.0000e+001 9.1370e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1734 | - | |
| 1735 | - <VolumeOfUnitCell> 1.3083e+003 </VolumeOfUnitCell> | |
| 1736 | - <FigureOfMeritWolff name="M20"> 3.0156e+000 </FigureOfMeritWolff> | |
| 1737 | - <FigureOfMeritWu name="Mwu20"> 2.5478e+000 </FigureOfMeritWu> | |
| 1738 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4932e+000 </ReversedFigureOfMeritWolff> | |
| 1739 | - <SymmetricFigureOfMeritWolff name="Msym20"> 4.5029e+000 </SymmetricFigureOfMeritWolff> | |
| 1740 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1741 | - <NumberOfMillerIndicesInRange> 4.0500e+001 </NumberOfMillerIndicesInRange> | |
| 1742 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 1743 | - <NumberOfPeaksNecessaryToResolveDominantZone> 16 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1744 | - | |
| 1745 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 1746 | - | |
| 1747 | - <EquivalentLatticeCandidates> | |
| 1748 | - <LatticeCandidate> | |
| 1749 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1750 | - <LatticeParameters> 7.5822e+000 1.0249e+001 4.5061e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1751 | - </LatticeCandidate> | |
| 1752 | - <LatticeCandidate> | |
| 1753 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1754 | - <LatticeParameters> 1.0249e+001 7.5822e+000 2.3106e+001 9.0000e+001 1.0281e+002 9.0000e+001 </LatticeParameters> | |
| 1755 | - </LatticeCandidate> | |
| 1756 | - <LatticeCandidate> | |
| 1757 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1758 | - <LatticeParameters> 5.0933e+000 4.5061e+001 1.1335e+001 9.0000e+001 9.1340e+001 9.0000e+001 </LatticeParameters> | |
| 1759 | - </LatticeCandidate> | |
| 1760 | - <LatticeCandidate> | |
| 1761 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1762 | - <LatticeParameters> 9.2573e+000 9.2229e+000 2.3001e+001 9.0000e+001 1.0161e+002 9.0000e+001 </LatticeParameters> | |
| 1763 | - </LatticeCandidate> | |
| 1764 | - <LatticeCandidate> | |
| 1765 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1766 | - <LatticeParameters> 2.2663e+001 4.9931e+000 2.5220e+001 9.0000e+001 1.1670e+002 9.0000e+001 </LatticeParameters> | |
| 1767 | - </LatticeCandidate> | |
| 1768 | - <LatticeCandidate> | |
| 1769 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1770 | - <LatticeParameters> 9.4224e+000 9.2573e+000 2.2531e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1771 | - </LatticeCandidate> | |
| 1772 | - <LatticeCandidate> | |
| 1773 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1774 | - <LatticeParameters> 5.0240e+000 2.2663e+001 2.2531e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1775 | - </LatticeCandidate> | |
| 1776 | - <LatticeCandidate> | |
| 1777 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1778 | - <LatticeParameters> 1.0992e+001 4.5061e+001 5.1260e+000 9.0000e+001 9.1308e+001 9.0000e+001 </LatticeParameters> | |
| 1779 | - </LatticeCandidate> | |
| 1780 | - <LatticeCandidate> | |
| 1781 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1782 | - <LatticeParameters> 1.2089e+001 4.5061e+001 5.0919e+000 9.0000e+001 1.1463e+002 9.0000e+001 </LatticeParameters> | |
| 1783 | - </LatticeCandidate> | |
| 1784 | - <LatticeCandidate> | |
| 1785 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1786 | - <LatticeParameters> 7.6919e+000 1.0249e+001 2.2531e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1787 | - </LatticeCandidate> | |
| 1788 | - </EquivalentLatticeCandidates> | |
| 1789 | - | |
| 1790 | - </LatticeCandidate> | |
| 1791 | - | |
| 1792 | - <LatticeCandidate number="02021603"> | |
| 1793 | - <CrystalSystem> Monoclinic(P) </CrystalSystem> | |
| 1794 | - | |
| 1795 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1796 | - <ReducedLatticeParameters> 4.1869e+000 3.4936e+000 2.4616e+001 9.0000e+001 9.1580e+001 9.0000e+001 </ReducedLatticeParameters> | |
| 1797 | - <OptimizedLatticeParameters> 4.1869e+000 3.4936e+000 2.4616e+001 9.0000e+001 9.1580e+001 9.0000e+001 </OptimizedLatticeParameters> | |
| 1798 | - | |
| 1799 | - <VolumeOfUnitCell> 3.5994e+002 </VolumeOfUnitCell> | |
| 1800 | - <FigureOfMeritWolff name="M20"> 3.0011e+000 </FigureOfMeritWolff> | |
| 1801 | - <FigureOfMeritWu name="Mwu20"> 2.1567e+000 </FigureOfMeritWu> | |
| 1802 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.5901e+000 </ReversedFigureOfMeritWolff> | |
| 1803 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.7730e+000 </SymmetricFigureOfMeritWolff> | |
| 1804 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1805 | - <NumberOfMillerIndicesInRange> 1.7000e+001 </NumberOfMillerIndicesInRange> | |
| 1806 | - <NumberOfIndexedPeaks> 12 </NumberOfIndexedPeaks> | |
| 1807 | - <NumberOfPeaksNecessaryToResolveDominantZone> 54 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1808 | - | |
| 1809 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 1810 | - | |
| 1811 | - <EquivalentLatticeCandidates> | |
| 1812 | - </EquivalentLatticeCandidates> | |
| 1813 | - | |
| 1814 | - </LatticeCandidate> | |
| 1815 | - | |
| 1816 | - | |
| 1817 | - | |
| 1818 | - <!-- Candidates for Triclinic --> | |
| 1819 | - | |
| 1820 | - <LatticeCandidate number="0108579"> | |
| 1821 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1822 | - | |
| 1823 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1824 | - <ReducedLatticeParameters> 8.8192e+000 9.7563e+000 9.7825e+000 9.0000e+001 7.5698e+001 8.9997e+001 </ReducedLatticeParameters> | |
| 1825 | - <OptimizedLatticeParameters> 8.8192e+000 9.7825e+000 9.7563e+000 9.0000e+001 8.9997e+001 1.0430e+002 </OptimizedLatticeParameters> | |
| 1826 | - | |
| 1827 | - <VolumeOfUnitCell> 8.1563e+002 </VolumeOfUnitCell> | |
| 1828 | - <FigureOfMeritWolff name="M20"> 2.2124e+002 </FigureOfMeritWolff> | |
| 1829 | - <FigureOfMeritWu name="Mwu20"> 2.7497e+002 </FigureOfMeritWu> | |
| 1830 | - <ReversedFigureOfMeritWolff name="Mrev20"> 6.0387e+000 </ReversedFigureOfMeritWolff> | |
| 1831 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.3360e+003 </SymmetricFigureOfMeritWolff> | |
| 1832 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1833 | - <NumberOfMillerIndicesInRange> 4.4000e+001 </NumberOfMillerIndicesInRange> | |
| 1834 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1835 | - <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1836 | - | |
| 1837 | - <NumberOfLatticesInNeighborhood> 16 </NumberOfLatticesInNeighborhood> | |
| 1838 | - | |
| 1839 | - <EquivalentLatticeCandidates> | |
| 1840 | - </EquivalentLatticeCandidates> | |
| 1841 | - | |
| 1842 | - </LatticeCandidate> | |
| 1843 | - | |
| 1844 | - <LatticeCandidate number="0103463"> | |
| 1845 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1846 | - | |
| 1847 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1848 | - <ReducedLatticeParameters> 6.9302e+000 1.4162e+001 1.9832e+001 8.8061e+001 8.2720e+001 8.1324e+001 </ReducedLatticeParameters> | |
| 1849 | - <OptimizedLatticeParameters> 6.9302e+000 1.4162e+001 1.9832e+001 8.8061e+001 8.2720e+001 8.1324e+001 </OptimizedLatticeParameters> | |
| 1850 | - | |
| 1851 | - <VolumeOfUnitCell> 1.9084e+003 </VolumeOfUnitCell> | |
| 1852 | - <FigureOfMeritWolff name="M20"> 6.1540e+000 </FigureOfMeritWolff> | |
| 1853 | - <FigureOfMeritWu name="Mwu20"> 6.4448e+000 </FigureOfMeritWu> | |
| 1854 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4740e+000 </ReversedFigureOfMeritWolff> | |
| 1855 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.0710e+000 </SymmetricFigureOfMeritWolff> | |
| 1856 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1857 | - <NumberOfMillerIndicesInRange> 1.1200e+002 </NumberOfMillerIndicesInRange> | |
| 1858 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1859 | - <NumberOfPeaksNecessaryToResolveDominantZone> 10 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1860 | - | |
| 1861 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 1862 | - | |
| 1863 | - <EquivalentLatticeCandidates> | |
| 1864 | - <LatticeCandidate> | |
| 1865 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1866 | - <LatticeParameters> 6.8945e+000 2.8042e+001 3.9400e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1867 | - </LatticeCandidate> | |
| 1868 | - <LatticeCandidate> | |
| 1869 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1870 | - <LatticeParameters> 2.8045e+001 6.8945e+000 2.4000e+001 9.0000e+001 1.2483e+002 9.0000e+001 </LatticeParameters> | |
| 1871 | - </LatticeCandidate> | |
| 1872 | - <LatticeCandidate> | |
| 1873 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1874 | - <LatticeParameters> 6.9018e+000 2.8042e+001 1.9864e+001 9.0000e+001 9.7367e+001 9.0000e+001 </LatticeParameters> | |
| 1875 | - </LatticeCandidate> | |
| 1876 | - <LatticeCandidate> | |
| 1877 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1878 | - <LatticeParameters> 6.9268e+000 3.9400e+001 1.4178e+001 9.0000e+001 9.8538e+001 9.0000e+001 </LatticeParameters> | |
| 1879 | - </LatticeCandidate> | |
| 1880 | - </EquivalentLatticeCandidates> | |
| 1881 | - | |
| 1882 | - </LatticeCandidate> | |
| 1883 | - | |
| 1884 | - <LatticeCandidate number="0103360"> | |
| 1885 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1886 | - | |
| 1887 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1888 | - <ReducedLatticeParameters> 5.1404e+000 8.4529e+000 4.5772e+001 9.4233e+001 9.2530e+001 9.6665e+001 </ReducedLatticeParameters> | |
| 1889 | - <OptimizedLatticeParameters> 5.1404e+000 8.4529e+000 4.5772e+001 9.4233e+001 9.2530e+001 9.6665e+001 </OptimizedLatticeParameters> | |
| 1890 | - | |
| 1891 | - <VolumeOfUnitCell> 1.9672e+003 </VolumeOfUnitCell> | |
| 1892 | - <FigureOfMeritWolff name="M20"> 5.6032e+000 </FigureOfMeritWolff> | |
| 1893 | - <FigureOfMeritWu name="Mwu20"> 4.6982e+000 </FigureOfMeritWu> | |
| 1894 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5877e+000 </ReversedFigureOfMeritWolff> | |
| 1895 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.8962e+000 </SymmetricFigureOfMeritWolff> | |
| 1896 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1897 | - <NumberOfMillerIndicesInRange> 1.0200e+002 </NumberOfMillerIndicesInRange> | |
| 1898 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1899 | - <NumberOfPeaksNecessaryToResolveDominantZone> 16 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1900 | - | |
| 1901 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 1902 | - | |
| 1903 | - <EquivalentLatticeCandidates> | |
| 1904 | - <LatticeCandidate> | |
| 1905 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1906 | - <LatticeParameters> 1.6802e+001 5.0418e+000 4.5796e+001 9.0000e+001 9.6039e+001 9.0000e+001 </LatticeParameters> | |
| 1907 | - </LatticeCandidate> | |
| 1908 | - <LatticeCandidate> | |
| 1909 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1910 | - <LatticeParameters> 8.4583e+000 9.1083e+001 5.1236e+000 9.0000e+001 9.6704e+001 9.0000e+001 </LatticeParameters> | |
| 1911 | - </LatticeCandidate> | |
| 1912 | - <LatticeCandidate> | |
| 1913 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1914 | - <LatticeParameters> 9.3696e+000 9.1083e+001 5.1327e+000 9.0000e+001 1.1629e+002 9.0000e+001 </LatticeParameters> | |
| 1915 | - </LatticeCandidate> | |
| 1916 | - <LatticeCandidate> | |
| 1917 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1918 | - <LatticeParameters> 5.1322e+000 9.1083e+001 8.4317e+000 9.0000e+001 9.6627e+001 9.0000e+001 </LatticeParameters> | |
| 1919 | - </LatticeCandidate> | |
| 1920 | - </EquivalentLatticeCandidates> | |
| 1921 | - | |
| 1922 | - </LatticeCandidate> | |
| 1923 | - | |
| 1924 | - <LatticeCandidate number="01011428"> | |
| 1925 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1926 | - | |
| 1927 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1928 | - <ReducedLatticeParameters> 3.9470e+000 9.2759e+000 1.6668e+001 8.2530e+001 8.3536e+001 8.8668e+001 </ReducedLatticeParameters> | |
| 1929 | - <OptimizedLatticeParameters> 3.9470e+000 9.2759e+000 1.6668e+001 8.2530e+001 8.3536e+001 8.8668e+001 </OptimizedLatticeParameters> | |
| 1930 | - | |
| 1931 | - <VolumeOfUnitCell> 6.0120e+002 </VolumeOfUnitCell> | |
| 1932 | - <FigureOfMeritWolff name="M20"> 5.5067e+000 </FigureOfMeritWolff> | |
| 1933 | - <FigureOfMeritWu name="Mwu20"> 4.5273e+000 </FigureOfMeritWu> | |
| 1934 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.7272e+000 </ReversedFigureOfMeritWolff> | |
| 1935 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.5112e+000 </SymmetricFigureOfMeritWolff> | |
| 1936 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1937 | - <NumberOfMillerIndicesInRange> 4.4000e+001 </NumberOfMillerIndicesInRange> | |
| 1938 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1939 | - <NumberOfPeaksNecessaryToResolveDominantZone> 30 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1940 | - | |
| 1941 | - <NumberOfLatticesInNeighborhood> 46 </NumberOfLatticesInNeighborhood> | |
| 1942 | - | |
| 1943 | - <EquivalentLatticeCandidates> | |
| 1944 | - </EquivalentLatticeCandidates> | |
| 1945 | - | |
| 1946 | - </LatticeCandidate> | |
| 1947 | - | |
| 1948 | - <LatticeCandidate number="01011776"> | |
| 1949 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1950 | - | |
| 1951 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1952 | - <ReducedLatticeParameters> 3.9695e+000 8.7404e+000 1.7356e+001 7.6878e+001 8.4510e+001 8.5844e+001 </ReducedLatticeParameters> | |
| 1953 | - <OptimizedLatticeParameters> 3.9695e+000 8.7404e+000 1.7356e+001 7.6878e+001 8.4510e+001 8.5844e+001 </OptimizedLatticeParameters> | |
| 1954 | - | |
| 1955 | - <VolumeOfUnitCell> 5.8295e+002 </VolumeOfUnitCell> | |
| 1956 | - <FigureOfMeritWolff name="M20"> 5.2238e+000 </FigureOfMeritWolff> | |
| 1957 | - <FigureOfMeritWu name="Mwu20"> 3.9569e+000 </FigureOfMeritWu> | |
| 1958 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.9012e+000 </ReversedFigureOfMeritWolff> | |
| 1959 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.9315e+000 </SymmetricFigureOfMeritWolff> | |
| 1960 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1961 | - <NumberOfMillerIndicesInRange> 4.0000e+001 </NumberOfMillerIndicesInRange> | |
| 1962 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 1963 | - <NumberOfPeaksNecessaryToResolveDominantZone> 29 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1964 | - | |
| 1965 | - <NumberOfLatticesInNeighborhood> 37 </NumberOfLatticesInNeighborhood> | |
| 1966 | - | |
| 1967 | - <EquivalentLatticeCandidates> | |
| 1968 | - </EquivalentLatticeCandidates> | |
| 1969 | - | |
| 1970 | - </LatticeCandidate> | |
| 1971 | - | |
| 1972 | - <LatticeCandidate number="0103756"> | |
| 1973 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 1974 | - | |
| 1975 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 1976 | - <ReducedLatticeParameters> 8.0626e+000 9.2967e+000 2.3901e+001 9.0343e+001 9.7594e+001 9.7107e+001 </ReducedLatticeParameters> | |
| 1977 | - <OptimizedLatticeParameters> 8.0626e+000 9.2967e+000 2.3901e+001 9.0343e+001 9.7594e+001 9.7107e+001 </OptimizedLatticeParameters> | |
| 1978 | - | |
| 1979 | - <VolumeOfUnitCell> 1.7617e+003 </VolumeOfUnitCell> | |
| 1980 | - <FigureOfMeritWolff name="M20"> 5.1983e+000 </FigureOfMeritWolff> | |
| 1981 | - <FigureOfMeritWu name="Mwu20"> 5.0403e+000 </FigureOfMeritWu> | |
| 1982 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6428e+000 </ReversedFigureOfMeritWolff> | |
| 1983 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.5400e+000 </SymmetricFigureOfMeritWolff> | |
| 1984 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 1985 | - <NumberOfMillerIndicesInRange> 1.0100e+002 </NumberOfMillerIndicesInRange> | |
| 1986 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 1987 | - <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 1988 | - | |
| 1989 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 1990 | - | |
| 1991 | - <EquivalentLatticeCandidates> | |
| 1992 | - <LatticeCandidate> | |
| 1993 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 1994 | - <LatticeParameters> 1.1300e+001 1.2871e+001 4.7394e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 1995 | - </LatticeCandidate> | |
| 1996 | - <LatticeCandidate> | |
| 1997 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 1998 | - <LatticeParameters> 1.8443e+001 7.7025e+000 2.5246e+001 9.0000e+001 1.1018e+002 9.0000e+001 </LatticeParameters> | |
| 1999 | - </LatticeCandidate> | |
| 2000 | - <LatticeCandidate> | |
| 2001 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2002 | - <LatticeParameters> 8.0647e+000 4.7394e+001 9.2934e+000 9.0000e+001 9.7246e+001 9.0000e+001 </LatticeParameters> | |
| 2003 | - </LatticeCandidate> | |
| 2004 | - </EquivalentLatticeCandidates> | |
| 2005 | - | |
| 2006 | - </LatticeCandidate> | |
| 2007 | - | |
| 2008 | - <LatticeCandidate number="0104708"> | |
| 2009 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2010 | - | |
| 2011 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2012 | - <ReducedLatticeParameters> 4.2651e+000 1.6273e+001 2.0431e+001 8.6848e+001 8.6010e+001 8.3632e+001 </ReducedLatticeParameters> | |
| 2013 | - <OptimizedLatticeParameters> 4.2651e+000 1.6273e+001 2.0431e+001 8.6848e+001 8.6010e+001 8.3632e+001 </OptimizedLatticeParameters> | |
| 2014 | - | |
| 2015 | - <VolumeOfUnitCell> 1.4043e+003 </VolumeOfUnitCell> | |
| 2016 | - <FigureOfMeritWolff name="M20"> 5.1743e+000 </FigureOfMeritWolff> | |
| 2017 | - <FigureOfMeritWu name="Mwu20"> 4.8717e+000 </FigureOfMeritWu> | |
| 2018 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5408e+000 </ReversedFigureOfMeritWolff> | |
| 2019 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.9725e+000 </SymmetricFigureOfMeritWolff> | |
| 2020 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2021 | - <NumberOfMillerIndicesInRange> 9.1000e+001 </NumberOfMillerIndicesInRange> | |
| 2022 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2023 | - <NumberOfPeaksNecessaryToResolveDominantZone> 20 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2024 | - | |
| 2025 | - <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood> | |
| 2026 | - | |
| 2027 | - <EquivalentLatticeCandidates> | |
| 2028 | - </EquivalentLatticeCandidates> | |
| 2029 | - | |
| 2030 | - </LatticeCandidate> | |
| 2031 | - | |
| 2032 | - <LatticeCandidate number="0103675"> | |
| 2033 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2034 | - | |
| 2035 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2036 | - <ReducedLatticeParameters> 4.4877e+000 1.3747e+001 2.9262e+001 9.1112e+001 9.1690e+001 9.2896e+001 </ReducedLatticeParameters> | |
| 2037 | - <OptimizedLatticeParameters> 4.4877e+000 1.3747e+001 2.9262e+001 9.1112e+001 9.1690e+001 9.2896e+001 </OptimizedLatticeParameters> | |
| 2038 | - | |
| 2039 | - <VolumeOfUnitCell> 1.8017e+003 </VolumeOfUnitCell> | |
| 2040 | - <FigureOfMeritWolff name="M20"> 5.1122e+000 </FigureOfMeritWolff> | |
| 2041 | - <FigureOfMeritWu name="Mwu20"> 3.9626e+000 </FigureOfMeritWu> | |
| 2042 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.3403e+000 </ReversedFigureOfMeritWolff> | |
| 2043 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.8517e+000 </SymmetricFigureOfMeritWolff> | |
| 2044 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2045 | - <NumberOfMillerIndicesInRange> 1.0900e+002 </NumberOfMillerIndicesInRange> | |
| 2046 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2047 | - <NumberOfPeaksNecessaryToResolveDominantZone> 19 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2048 | - | |
| 2049 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 2050 | - | |
| 2051 | - <EquivalentLatticeCandidates> | |
| 2052 | - <LatticeCandidate> | |
| 2053 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2054 | - <LatticeParameters> 2.7455e+001 4.4566e+000 3.2017e+001 9.0000e+001 1.1416e+002 9.0000e+001 </LatticeParameters> | |
| 2055 | - </LatticeCandidate> | |
| 2056 | - <LatticeCandidate> | |
| 2057 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2058 | - <LatticeParameters> 4.4620e+000 2.7448e+001 2.9224e+001 9.0000e+001 9.1563e+001 9.0000e+001 </LatticeParameters> | |
| 2059 | - </LatticeCandidate> | |
| 2060 | - <LatticeCandidate> | |
| 2061 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2062 | - <LatticeParameters> 4.4848e+000 5.8425e+001 1.3742e+001 9.0000e+001 9.2900e+001 9.0000e+001 </LatticeParameters> | |
| 2063 | - </LatticeCandidate> | |
| 2064 | - </EquivalentLatticeCandidates> | |
| 2065 | - | |
| 2066 | - </LatticeCandidate> | |
| 2067 | - | |
| 2068 | - <LatticeCandidate number="0104959"> | |
| 2069 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2070 | - | |
| 2071 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2072 | - <ReducedLatticeParameters> 4.3535e+000 1.4355e+001 2.1550e+001 8.7649e+001 8.9698e+001 8.3215e+001 </ReducedLatticeParameters> | |
| 2073 | - <OptimizedLatticeParameters> 4.3535e+000 1.4355e+001 2.1550e+001 9.2351e+001 8.9698e+001 9.6785e+001 </OptimizedLatticeParameters> | |
| 2074 | - | |
| 2075 | - <VolumeOfUnitCell> 1.3361e+003 </VolumeOfUnitCell> | |
| 2076 | - <FigureOfMeritWolff name="M20"> 5.0737e+000 </FigureOfMeritWolff> | |
| 2077 | - <FigureOfMeritWu name="Mwu20"> 4.3093e+000 </FigureOfMeritWu> | |
| 2078 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5609e+000 </ReversedFigureOfMeritWolff> | |
| 2079 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.9195e+000 </SymmetricFigureOfMeritWolff> | |
| 2080 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2081 | - <NumberOfMillerIndicesInRange> 8.5000e+001 </NumberOfMillerIndicesInRange> | |
| 2082 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2083 | - <NumberOfPeaksNecessaryToResolveDominantZone> 20 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2084 | - | |
| 2085 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 2086 | - | |
| 2087 | - <EquivalentLatticeCandidates> | |
| 2088 | - <LatticeCandidate> | |
| 2089 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2090 | - <LatticeParameters> 2.8518e+001 4.3473e+000 2.1563e+001 9.0000e+001 9.2294e+001 9.0000e+001 </LatticeParameters> | |
| 2091 | - </LatticeCandidate> | |
| 2092 | - </EquivalentLatticeCandidates> | |
| 2093 | - | |
| 2094 | - </LatticeCandidate> | |
| 2095 | - | |
| 2096 | - <LatticeCandidate number="0107148"> | |
| 2097 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2098 | - | |
| 2099 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2100 | - <ReducedLatticeParameters> 4.0182e+000 1.5186e+001 1.6140e+001 8.4870e+001 8.3523e+001 8.6176e+001 </ReducedLatticeParameters> | |
| 2101 | - <OptimizedLatticeParameters> 4.0182e+000 1.5186e+001 1.6140e+001 8.4870e+001 8.3523e+001 8.6176e+001 </OptimizedLatticeParameters> | |
| 2102 | - | |
| 2103 | - <VolumeOfUnitCell> 9.7307e+002 </VolumeOfUnitCell> | |
| 2104 | - <FigureOfMeritWolff name="M20"> 4.8081e+000 </FigureOfMeritWolff> | |
| 2105 | - <FigureOfMeritWu name="Mwu20"> 4.2168e+000 </FigureOfMeritWu> | |
| 2106 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8864e+000 </ReversedFigureOfMeritWolff> | |
| 2107 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.0698e+000 </SymmetricFigureOfMeritWolff> | |
| 2108 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2109 | - <NumberOfMillerIndicesInRange> 7.0000e+001 </NumberOfMillerIndicesInRange> | |
| 2110 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2111 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2112 | - | |
| 2113 | - <NumberOfLatticesInNeighborhood> 7 </NumberOfLatticesInNeighborhood> | |
| 2114 | - | |
| 2115 | - <EquivalentLatticeCandidates> | |
| 2116 | - <LatticeCandidate> | |
| 2117 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2118 | - <LatticeParameters> 3.0314e+001 4.0112e+000 2.1126e+001 9.0000e+001 1.3082e+002 9.0000e+001 </LatticeParameters> | |
| 2119 | - </LatticeCandidate> | |
| 2120 | - <LatticeCandidate> | |
| 2121 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2122 | - <LatticeParameters> 4.0112e+000 3.0207e+001 1.6099e+001 9.0000e+001 9.6795e+001 9.0000e+001 </LatticeParameters> | |
| 2123 | - </LatticeCandidate> | |
| 2124 | - <LatticeCandidate> | |
| 2125 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2126 | - <LatticeParameters> 4.0197e+000 3.1972e+001 1.5138e+001 9.0000e+001 9.3881e+001 9.0000e+001 </LatticeParameters> | |
| 2127 | - </LatticeCandidate> | |
| 2128 | - </EquivalentLatticeCandidates> | |
| 2129 | - | |
| 2130 | - </LatticeCandidate> | |
| 2131 | - | |
| 2132 | - <LatticeCandidate number="0104909"> | |
| 2133 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2134 | - | |
| 2135 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2136 | - <ReducedLatticeParameters> 4.4202e+000 8.8478e+000 3.4607e+001 8.7168e+001 8.9305e+001 8.7068e+001 </ReducedLatticeParameters> | |
| 2137 | - <OptimizedLatticeParameters> 4.4202e+000 8.8478e+000 3.4607e+001 8.7168e+001 8.9305e+001 8.7068e+001 </OptimizedLatticeParameters> | |
| 2138 | - | |
| 2139 | - <VolumeOfUnitCell> 1.3500e+003 </VolumeOfUnitCell> | |
| 2140 | - <FigureOfMeritWolff name="M20"> 4.8048e+000 </FigureOfMeritWolff> | |
| 2141 | - <FigureOfMeritWu name="Mwu20"> 3.8065e+000 </FigureOfMeritWu> | |
| 2142 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.3745e+000 </ReversedFigureOfMeritWolff> | |
| 2143 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.6041e+000 </SymmetricFigureOfMeritWolff> | |
| 2144 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2145 | - <NumberOfMillerIndicesInRange> 9.0000e+001 </NumberOfMillerIndicesInRange> | |
| 2146 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2147 | - <NumberOfPeaksNecessaryToResolveDominantZone> 23 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2148 | - | |
| 2149 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 2150 | - | |
| 2151 | - <EquivalentLatticeCandidates> | |
| 2152 | - </EquivalentLatticeCandidates> | |
| 2153 | - | |
| 2154 | - </LatticeCandidate> | |
| 2155 | - | |
| 2156 | - <LatticeCandidate number="0104378"> | |
| 2157 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2158 | - | |
| 2159 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2160 | - <ReducedLatticeParameters> 5.5407e+000 1.6609e+001 1.6794e+001 1.0067e+002 9.1357e+001 9.5918e+001 </ReducedLatticeParameters> | |
| 2161 | - <OptimizedLatticeParameters> 5.5407e+000 1.6609e+001 1.6794e+001 1.0067e+002 9.1357e+001 9.5918e+001 </OptimizedLatticeParameters> | |
| 2162 | - | |
| 2163 | - <VolumeOfUnitCell> 1.5092e+003 </VolumeOfUnitCell> | |
| 2164 | - <FigureOfMeritWolff name="M20"> 4.7453e+000 </FigureOfMeritWolff> | |
| 2165 | - <FigureOfMeritWu name="Mwu20"> 3.5645e+000 </FigureOfMeritWu> | |
| 2166 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.3107e+000 </ReversedFigureOfMeritWolff> | |
| 2167 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.2196e+000 </SymmetricFigureOfMeritWolff> | |
| 2168 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2169 | - <NumberOfMillerIndicesInRange> 7.1000e+001 </NumberOfMillerIndicesInRange> | |
| 2170 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2171 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2172 | - | |
| 2173 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 2174 | - | |
| 2175 | - <EquivalentLatticeCandidates> | |
| 2176 | - <LatticeCandidate> | |
| 2177 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2178 | - <LatticeParameters> 3.3039e+001 5.5207e+000 1.6813e+001 9.0000e+001 1.0101e+002 9.0000e+001 </LatticeParameters> | |
| 2179 | - </LatticeCandidate> | |
| 2180 | - <LatticeCandidate> | |
| 2181 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2182 | - <LatticeParameters> 2.1473e+001 2.5719e+001 5.4602e+000 9.0000e+001 9.9203e+001 9.0000e+001 </LatticeParameters> | |
| 2183 | - </LatticeCandidate> | |
| 2184 | - <LatticeCandidate> | |
| 2185 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2186 | - <LatticeParameters> 2.1304e+001 2.5719e+001 5.5242e+000 9.0000e+001 9.5742e+001 9.0000e+001 </LatticeParameters> | |
| 2187 | - </LatticeCandidate> | |
| 2188 | - </EquivalentLatticeCandidates> | |
| 2189 | - | |
| 2190 | - </LatticeCandidate> | |
| 2191 | - | |
| 2192 | - <LatticeCandidate number="0105682"> | |
| 2193 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2194 | - | |
| 2195 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2196 | - <ReducedLatticeParameters> 5.3181e+000 1.3341e+001 1.8032e+001 6.9016e+001 8.7373e+001 8.9434e+001 </ReducedLatticeParameters> | |
| 2197 | - <OptimizedLatticeParameters> 5.3181e+000 1.3341e+001 1.8032e+001 1.1098e+002 9.2627e+001 8.9434e+001 </OptimizedLatticeParameters> | |
| 2198 | - | |
| 2199 | - <VolumeOfUnitCell> 1.1933e+003 </VolumeOfUnitCell> | |
| 2200 | - <FigureOfMeritWolff name="M20"> 4.7237e+000 </FigureOfMeritWolff> | |
| 2201 | - <FigureOfMeritWu name="Mwu20"> 5.4757e+000 </FigureOfMeritWu> | |
| 2202 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8101e+000 </ReversedFigureOfMeritWolff> | |
| 2203 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.5502e+000 </SymmetricFigureOfMeritWolff> | |
| 2204 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2205 | - <NumberOfMillerIndicesInRange> 6.0000e+001 </NumberOfMillerIndicesInRange> | |
| 2206 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2207 | - <NumberOfPeaksNecessaryToResolveDominantZone> 14 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2208 | - | |
| 2209 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 2210 | - | |
| 2211 | - <EquivalentLatticeCandidates> | |
| 2212 | - <LatticeCandidate> | |
| 2213 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2214 | - <LatticeParameters> 3.3690e+001 1.3311e+001 5.3091e+000 9.0000e+001 9.2568e+001 9.0000e+001 </LatticeParameters> | |
| 2215 | - </LatticeCandidate> | |
| 2216 | - </EquivalentLatticeCandidates> | |
| 2217 | - | |
| 2218 | - </LatticeCandidate> | |
| 2219 | - | |
| 2220 | - <LatticeCandidate number="0108877"> | |
| 2221 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2222 | - | |
| 2223 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2224 | - <ReducedLatticeParameters> 4.1098e+000 1.0026e+001 1.9461e+001 8.3628e+001 8.6319e+001 8.3885e+001 </ReducedLatticeParameters> | |
| 2225 | - <OptimizedLatticeParameters> 4.1098e+000 1.0026e+001 1.9461e+001 8.3628e+001 8.6319e+001 8.3885e+001 </OptimizedLatticeParameters> | |
| 2226 | - | |
| 2227 | - <VolumeOfUnitCell> 7.9132e+002 </VolumeOfUnitCell> | |
| 2228 | - <FigureOfMeritWolff name="M20"> 4.7190e+000 </FigureOfMeritWolff> | |
| 2229 | - <FigureOfMeritWu name="Mwu20"> 4.0243e+000 </FigureOfMeritWu> | |
| 2230 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5772e+000 </ReversedFigureOfMeritWolff> | |
| 2231 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.4430e+000 </SymmetricFigureOfMeritWolff> | |
| 2232 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2233 | - <NumberOfMillerIndicesInRange> 5.7000e+001 </NumberOfMillerIndicesInRange> | |
| 2234 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2235 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2236 | - | |
| 2237 | - <NumberOfLatticesInNeighborhood> 19 </NumberOfLatticesInNeighborhood> | |
| 2238 | - | |
| 2239 | - <EquivalentLatticeCandidates> | |
| 2240 | - <LatticeCandidate> | |
| 2241 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2242 | - <LatticeParameters> 4.1079e+000 3.8603e+001 9.9475e+000 9.0000e+001 9.6398e+001 9.0000e+001 </LatticeParameters> | |
| 2243 | - </LatticeCandidate> | |
| 2244 | - </EquivalentLatticeCandidates> | |
| 2245 | - | |
| 2246 | - </LatticeCandidate> | |
| 2247 | - | |
| 2248 | - <LatticeCandidate number="0108052"> | |
| 2249 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2250 | - | |
| 2251 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2252 | - <ReducedLatticeParameters> 3.8409e+000 1.4613e+001 1.5868e+001 7.8793e+001 8.6764e+001 8.8494e+001 </ReducedLatticeParameters> | |
| 2253 | - <OptimizedLatticeParameters> 3.8409e+000 1.4613e+001 1.5868e+001 7.8793e+001 8.6764e+001 8.8494e+001 </OptimizedLatticeParameters> | |
| 2254 | - | |
| 2255 | - <VolumeOfUnitCell> 8.7217e+002 </VolumeOfUnitCell> | |
| 2256 | - <FigureOfMeritWolff name="M20"> 4.6919e+000 </FigureOfMeritWolff> | |
| 2257 | - <FigureOfMeritWu name="Mwu20"> 4.1624e+000 </FigureOfMeritWu> | |
| 2258 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5107e+000 </ReversedFigureOfMeritWolff> | |
| 2259 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.0883e+000 </SymmetricFigureOfMeritWolff> | |
| 2260 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2261 | - <NumberOfMillerIndicesInRange> 6.6000e+001 </NumberOfMillerIndicesInRange> | |
| 2262 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2263 | - <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2264 | - | |
| 2265 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 2266 | - | |
| 2267 | - <EquivalentLatticeCandidates> | |
| 2268 | - </EquivalentLatticeCandidates> | |
| 2269 | - | |
| 2270 | - </LatticeCandidate> | |
| 2271 | - | |
| 2272 | - <LatticeCandidate number="0108390"> | |
| 2273 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2274 | - | |
| 2275 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2276 | - <ReducedLatticeParameters> 3.7201e+000 4.7874e+000 4.7026e+001 9.1746e+001 9.0864e+001 9.5296e+001 </ReducedLatticeParameters> | |
| 2277 | - <OptimizedLatticeParameters> 3.7201e+000 4.7874e+000 4.7026e+001 9.1746e+001 9.0864e+001 9.5296e+001 </OptimizedLatticeParameters> | |
| 2278 | - | |
| 2279 | - <VolumeOfUnitCell> 8.3341e+002 </VolumeOfUnitCell> | |
| 2280 | - <FigureOfMeritWolff name="M20"> 4.6804e+000 </FigureOfMeritWolff> | |
| 2281 | - <FigureOfMeritWu name="Mwu20"> 3.5593e+000 </FigureOfMeritWu> | |
| 2282 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4855e+000 </ReversedFigureOfMeritWolff> | |
| 2283 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.9527e+000 </SymmetricFigureOfMeritWolff> | |
| 2284 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2285 | - <NumberOfMillerIndicesInRange> 5.2000e+001 </NumberOfMillerIndicesInRange> | |
| 2286 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2287 | - <NumberOfPeaksNecessaryToResolveDominantZone> 42 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2288 | - | |
| 2289 | - <NumberOfLatticesInNeighborhood> 14 </NumberOfLatticesInNeighborhood> | |
| 2290 | - | |
| 2291 | - <EquivalentLatticeCandidates> | |
| 2292 | - <LatticeCandidate> | |
| 2293 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 2294 | - <LatticeParameters> 5.5876e+000 6.1268e+000 9.3955e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 2295 | - </LatticeCandidate> | |
| 2296 | - <LatticeCandidate> | |
| 2297 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2298 | - <LatticeParameters> 9.4849e+000 3.5674e+000 4.7008e+001 9.0000e+001 9.2055e+001 9.0000e+001 </LatticeParameters> | |
| 2299 | - </LatticeCandidate> | |
| 2300 | - <LatticeCandidate> | |
| 2301 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2302 | - <LatticeParameters> 4.7631e+000 9.3955e+001 3.7213e+000 9.0000e+001 9.5399e+001 9.0000e+001 </LatticeParameters> | |
| 2303 | - </LatticeCandidate> | |
| 2304 | - <LatticeCandidate> | |
| 2305 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2306 | - <LatticeParameters> 5.7603e+000 9.3955e+001 3.7213e+000 9.0000e+001 1.2459e+002 9.0000e+001 </LatticeParameters> | |
| 2307 | - </LatticeCandidate> | |
| 2308 | - <LatticeCandidate> | |
| 2309 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2310 | - <LatticeParameters> 5.5893e+000 6.1268e+000 4.7006e+001 9.0000e+001 9.1995e+001 9.0000e+001 </LatticeParameters> | |
| 2311 | - </LatticeCandidate> | |
| 2312 | - <LatticeCandidate> | |
| 2313 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2314 | - <LatticeParameters> 6.1270e+000 5.5876e+000 4.7054e+001 9.0000e+001 9.3264e+001 9.0000e+001 </LatticeParameters> | |
| 2315 | - </LatticeCandidate> | |
| 2316 | - <LatticeCandidate> | |
| 2317 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2318 | - <LatticeParameters> 3.7216e+000 9.3955e+001 4.7542e+000 9.0000e+001 9.5483e+001 9.0000e+001 </LatticeParameters> | |
| 2319 | - </LatticeCandidate> | |
| 2320 | - <LatticeCandidate> | |
| 2321 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2322 | - <LatticeParameters> 3.5674e+000 9.4649e+000 4.7005e+001 9.0000e+001 9.1947e+001 9.0000e+001 </LatticeParameters> | |
| 2323 | - </LatticeCandidate> | |
| 2324 | - </EquivalentLatticeCandidates> | |
| 2325 | - | |
| 2326 | - </LatticeCandidate> | |
| 2327 | - | |
| 2328 | - <LatticeCandidate number="0103866"> | |
| 2329 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2330 | - | |
| 2331 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2332 | - <ReducedLatticeParameters> 5.0799e+000 1.8999e+001 1.9421e+001 1.1258e+002 9.3075e+001 9.2212e+001 </ReducedLatticeParameters> | |
| 2333 | - <OptimizedLatticeParameters> 5.0799e+000 1.8999e+001 1.9421e+001 1.1258e+002 9.3075e+001 9.2212e+001 </OptimizedLatticeParameters> | |
| 2334 | - | |
| 2335 | - <VolumeOfUnitCell> 1.7246e+003 </VolumeOfUnitCell> | |
| 2336 | - <FigureOfMeritWolff name="M20"> 4.6684e+000 </FigureOfMeritWolff> | |
| 2337 | - <FigureOfMeritWu name="Mwu20"> 4.2259e+000 </FigureOfMeritWu> | |
| 2338 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4637e+000 </ReversedFigureOfMeritWolff> | |
| 2339 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.8332e+000 </SymmetricFigureOfMeritWolff> | |
| 2340 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2341 | - <NumberOfMillerIndicesInRange> 9.9000e+001 </NumberOfMillerIndicesInRange> | |
| 2342 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2343 | - <NumberOfPeaksNecessaryToResolveDominantZone> 14 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2344 | - | |
| 2345 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 2346 | - | |
| 2347 | - <EquivalentLatticeCandidates> | |
| 2348 | - <LatticeCandidate> | |
| 2349 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2350 | - <LatticeParameters> 2.1318e+001 3.1935e+001 5.0796e+000 9.0000e+001 9.4704e+001 9.0000e+001 </LatticeParameters> | |
| 2351 | - </LatticeCandidate> | |
| 2352 | - <LatticeCandidate> | |
| 2353 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2354 | - <LatticeParameters> 2.1490e+001 3.1935e+001 5.0242e+000 9.0000e+001 9.8639e+001 9.0000e+001 </LatticeParameters> | |
| 2355 | - </LatticeCandidate> | |
| 2356 | - <LatticeCandidate> | |
| 2357 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2358 | - <LatticeParameters> 3.8716e+001 5.0643e+000 1.9005e+001 9.0000e+001 1.1273e+002 9.0000e+001 </LatticeParameters> | |
| 2359 | - </LatticeCandidate> | |
| 2360 | - </EquivalentLatticeCandidates> | |
| 2361 | - | |
| 2362 | - </LatticeCandidate> | |
| 2363 | - | |
| 2364 | - <LatticeCandidate number="0108553"> | |
| 2365 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2366 | - | |
| 2367 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2368 | - <ReducedLatticeParameters> 5.0309e+000 1.2280e+001 1.3380e+001 9.1794e+001 9.6440e+001 9.3991e+001 </ReducedLatticeParameters> | |
| 2369 | - <OptimizedLatticeParameters> 5.0309e+000 1.2280e+001 1.3380e+001 9.1794e+001 9.6440e+001 9.3991e+001 </OptimizedLatticeParameters> | |
| 2370 | - | |
| 2371 | - <VolumeOfUnitCell> 8.1879e+002 </VolumeOfUnitCell> | |
| 2372 | - <FigureOfMeritWolff name="M20"> 4.5984e+000 </FigureOfMeritWolff> | |
| 2373 | - <FigureOfMeritWu name="Mwu20"> 3.6470e+000 </FigureOfMeritWu> | |
| 2374 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.7123e+000 </ReversedFigureOfMeritWolff> | |
| 2375 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.8738e+000 </SymmetricFigureOfMeritWolff> | |
| 2376 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2377 | - <NumberOfMillerIndicesInRange> 4.8000e+001 </NumberOfMillerIndicesInRange> | |
| 2378 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2379 | - <NumberOfPeaksNecessaryToResolveDominantZone> 16 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2380 | - | |
| 2381 | - <NumberOfLatticesInNeighborhood> 11 </NumberOfLatticesInNeighborhood> | |
| 2382 | - | |
| 2383 | - <EquivalentLatticeCandidates> | |
| 2384 | - </EquivalentLatticeCandidates> | |
| 2385 | - | |
| 2386 | - </LatticeCandidate> | |
| 2387 | - | |
| 2388 | - <LatticeCandidate number="0105649"> | |
| 2389 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2390 | - | |
| 2391 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2392 | - <ReducedLatticeParameters> 8.5472e+000 1.1813e+001 1.3074e+001 7.1993e+001 7.4904e+001 7.7414e+001 </ReducedLatticeParameters> | |
| 2393 | - <OptimizedLatticeParameters> 8.5472e+000 1.1813e+001 1.3074e+001 7.1993e+001 7.4904e+001 7.7414e+001 </OptimizedLatticeParameters> | |
| 2394 | - | |
| 2395 | - <VolumeOfUnitCell> 1.1984e+003 </VolumeOfUnitCell> | |
| 2396 | - <FigureOfMeritWolff name="M20"> 4.5961e+000 </FigureOfMeritWolff> | |
| 2397 | - <FigureOfMeritWu name="Mwu20"> 4.3367e+000 </FigureOfMeritWu> | |
| 2398 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4048e+000 </ReversedFigureOfMeritWolff> | |
| 2399 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.4566e+000 </SymmetricFigureOfMeritWolff> | |
| 2400 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2401 | - <NumberOfMillerIndicesInRange> 6.7000e+001 </NumberOfMillerIndicesInRange> | |
| 2402 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2403 | - <NumberOfPeaksNecessaryToResolveDominantZone> 7 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2404 | - | |
| 2405 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 2406 | - | |
| 2407 | - <EquivalentLatticeCandidates> | |
| 2408 | - <LatticeCandidate> | |
| 2409 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 2410 | - <LatticeParameters> 1.2305e+001 1.4727e+001 2.4320e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 2411 | - </LatticeCandidate> | |
| 2412 | - <LatticeCandidate> | |
| 2413 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 2414 | - <LatticeParameters> 1.1435e+001 1.6329e+001 2.2197e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 2415 | - </LatticeCandidate> | |
| 2416 | - <LatticeCandidate> | |
| 2417 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 2418 | - <LatticeParameters> 1.0609e+001 1.2417e+001 1.5083e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 2419 | - </LatticeCandidate> | |
| 2420 | - <LatticeCandidate> | |
| 2421 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 2422 | - <LatticeParameters> 8.4542e+000 1.4570e+001 1.9138e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 2423 | - </LatticeCandidate> | |
| 2424 | - <LatticeCandidate> | |
| 2425 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2426 | - <LatticeParameters> 2.0012e+001 1.4570e+001 8.5373e+000 9.0000e+001 1.0699e+002 9.0000e+001 </LatticeParameters> | |
| 2427 | - </LatticeCandidate> | |
| 2428 | - <LatticeCandidate> | |
| 2429 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2430 | - <LatticeParameters> 2.3035e+001 8.4542e+000 1.4636e+001 9.0000e+001 1.2382e+002 9.0000e+001 </LatticeParameters> | |
| 2431 | - </LatticeCandidate> | |
| 2432 | - <LatticeCandidate> | |
| 2433 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2434 | - <LatticeParameters> 1.6373e+001 1.9138e+001 8.4743e+000 9.0000e+001 1.1714e+002 9.0000e+001 </LatticeParameters> | |
| 2435 | - </LatticeCandidate> | |
| 2436 | - </EquivalentLatticeCandidates> | |
| 2437 | - | |
| 2438 | - </LatticeCandidate> | |
| 2439 | - | |
| 2440 | - <LatticeCandidate number="01010257"> | |
| 2441 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2442 | - | |
| 2443 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2444 | - <ReducedLatticeParameters> 4.2720e+000 9.4828e+000 1.7205e+001 8.0146e+001 8.3082e+001 8.5316e+001 </ReducedLatticeParameters> | |
| 2445 | - <OptimizedLatticeParameters> 4.2720e+000 9.4828e+000 1.7205e+001 8.0146e+001 8.3082e+001 8.5316e+001 </OptimizedLatticeParameters> | |
| 2446 | - | |
| 2447 | - <VolumeOfUnitCell> 6.8038e+002 </VolumeOfUnitCell> | |
| 2448 | - <FigureOfMeritWolff name="M20"> 4.5858e+000 </FigureOfMeritWolff> | |
| 2449 | - <FigureOfMeritWu name="Mwu20"> 3.5594e+000 </FigureOfMeritWu> | |
| 2450 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6431e+000 </ReversedFigureOfMeritWolff> | |
| 2451 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.5348e+000 </SymmetricFigureOfMeritWolff> | |
| 2452 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2453 | - <NumberOfMillerIndicesInRange> 4.4000e+001 </NumberOfMillerIndicesInRange> | |
| 2454 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2455 | - <NumberOfPeaksNecessaryToResolveDominantZone> 24 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2456 | - | |
| 2457 | - <NumberOfLatticesInNeighborhood> 24 </NumberOfLatticesInNeighborhood> | |
| 2458 | - | |
| 2459 | - <EquivalentLatticeCandidates> | |
| 2460 | - </EquivalentLatticeCandidates> | |
| 2461 | - | |
| 2462 | - </LatticeCandidate> | |
| 2463 | - | |
| 2464 | - <LatticeCandidate number="0106077"> | |
| 2465 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2466 | - | |
| 2467 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2468 | - <ReducedLatticeParameters> 3.9858e+000 8.7255e+000 3.2868e+001 9.0082e+001 9.1772e+001 9.6638e+001 </ReducedLatticeParameters> | |
| 2469 | - <OptimizedLatticeParameters> 3.9858e+000 8.7255e+000 3.2868e+001 9.0082e+001 9.1772e+001 9.6638e+001 </OptimizedLatticeParameters> | |
| 2470 | - | |
| 2471 | - <VolumeOfUnitCell> 1.1348e+003 </VolumeOfUnitCell> | |
| 2472 | - <FigureOfMeritWolff name="M20"> 4.5570e+000 </FigureOfMeritWolff> | |
| 2473 | - <FigureOfMeritWu name="Mwu20"> 3.9905e+000 </FigureOfMeritWu> | |
| 2474 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5697e+000 </ReversedFigureOfMeritWolff> | |
| 2475 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.1532e+000 </SymmetricFigureOfMeritWolff> | |
| 2476 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2477 | - <NumberOfMillerIndicesInRange> 7.5000e+001 </NumberOfMillerIndicesInRange> | |
| 2478 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2479 | - <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2480 | - | |
| 2481 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 2482 | - | |
| 2483 | - <EquivalentLatticeCandidates> | |
| 2484 | - <LatticeCandidate> | |
| 2485 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2486 | - <LatticeParameters> 1.7348e+001 3.9576e+000 3.3926e+001 9.0000e+001 1.0450e+002 9.0000e+001 </LatticeParameters> | |
| 2487 | - </LatticeCandidate> | |
| 2488 | - <LatticeCandidate> | |
| 2489 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2490 | - <LatticeParameters> 3.9596e+000 1.7348e+001 3.2858e+001 9.0000e+001 9.1593e+001 9.0000e+001 </LatticeParameters> | |
| 2491 | - </LatticeCandidate> | |
| 2492 | - <LatticeCandidate> | |
| 2493 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2494 | - <LatticeParameters> 3.9843e+000 6.5691e+001 8.7295e+000 9.0000e+001 9.6462e+001 9.0000e+001 </LatticeParameters> | |
| 2495 | - </LatticeCandidate> | |
| 2496 | - </EquivalentLatticeCandidates> | |
| 2497 | - | |
| 2498 | - </LatticeCandidate> | |
| 2499 | - | |
| 2500 | - <LatticeCandidate number="0104228"> | |
| 2501 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2502 | - | |
| 2503 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2504 | - <ReducedLatticeParameters> 6.3229e+000 1.4201e+001 1.7959e+001 9.4765e+001 9.8781e+001 9.8553e+001 </ReducedLatticeParameters> | |
| 2505 | - <OptimizedLatticeParameters> 6.3229e+000 1.4201e+001 1.7959e+001 9.4765e+001 9.8781e+001 9.8553e+001 </OptimizedLatticeParameters> | |
| 2506 | - | |
| 2507 | - <VolumeOfUnitCell> 1.5667e+003 </VolumeOfUnitCell> | |
| 2508 | - <FigureOfMeritWolff name="M20"> 4.4747e+000 </FigureOfMeritWolff> | |
| 2509 | - <FigureOfMeritWu name="Mwu20"> 3.8715e+000 </FigureOfMeritWu> | |
| 2510 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5105e+000 </ReversedFigureOfMeritWolff> | |
| 2511 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.7588e+000 </SymmetricFigureOfMeritWolff> | |
| 2512 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2513 | - <NumberOfMillerIndicesInRange> 8.5000e+001 </NumberOfMillerIndicesInRange> | |
| 2514 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2515 | - <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2516 | - | |
| 2517 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 2518 | - | |
| 2519 | - <EquivalentLatticeCandidates> | |
| 2520 | - <LatticeCandidate> | |
| 2521 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2522 | - <LatticeParameters> 2.8122e+001 6.3061e+000 2.1441e+001 9.0000e+001 1.2452e+002 9.0000e+001 </LatticeParameters> | |
| 2523 | - </LatticeCandidate> | |
| 2524 | - </EquivalentLatticeCandidates> | |
| 2525 | - | |
| 2526 | - </LatticeCandidate> | |
| 2527 | - | |
| 2528 | - <LatticeCandidate number="0105577"> | |
| 2529 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2530 | - | |
| 2531 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2532 | - <ReducedLatticeParameters> 3.9823e+000 1.6699e+001 1.8548e+001 8.1872e+001 8.5295e+001 8.3609e+001 </ReducedLatticeParameters> | |
| 2533 | - <OptimizedLatticeParameters> 3.9823e+000 1.6699e+001 1.8548e+001 8.1872e+001 8.5295e+001 8.3609e+001 </OptimizedLatticeParameters> | |
| 2534 | - | |
| 2535 | - <VolumeOfUnitCell> 1.2107e+003 </VolumeOfUnitCell> | |
| 2536 | - <FigureOfMeritWolff name="M20"> 4.4636e+000 </FigureOfMeritWolff> | |
| 2537 | - <FigureOfMeritWu name="Mwu20"> 3.8911e+000 </FigureOfMeritWu> | |
| 2538 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5238e+000 </ReversedFigureOfMeritWolff> | |
| 2539 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.8014e+000 </SymmetricFigureOfMeritWolff> | |
| 2540 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2541 | - <NumberOfMillerIndicesInRange> 8.8000e+001 </NumberOfMillerIndicesInRange> | |
| 2542 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2543 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2544 | - | |
| 2545 | - <NumberOfLatticesInNeighborhood> 7 </NumberOfLatticesInNeighborhood> | |
| 2546 | - | |
| 2547 | - <EquivalentLatticeCandidates> | |
| 2548 | - </EquivalentLatticeCandidates> | |
| 2549 | - | |
| 2550 | - </LatticeCandidate> | |
| 2551 | - | |
| 2552 | - <LatticeCandidate number="0104294"> | |
| 2553 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2554 | - | |
| 2555 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2556 | - <ReducedLatticeParameters> 5.2985e+000 1.5819e+001 1.8685e+001 8.5339e+001 8.2344e+001 8.4500e+001 </ReducedLatticeParameters> | |
| 2557 | - <OptimizedLatticeParameters> 5.2985e+000 1.5819e+001 1.8685e+001 8.5339e+001 8.2344e+001 8.4500e+001 </OptimizedLatticeParameters> | |
| 2558 | - | |
| 2559 | - <VolumeOfUnitCell> 1.5412e+003 </VolumeOfUnitCell> | |
| 2560 | - <FigureOfMeritWolff name="M20"> 4.4189e+000 </FigureOfMeritWolff> | |
| 2561 | - <FigureOfMeritWu name="Mwu20"> 3.8685e+000 </FigureOfMeritWu> | |
| 2562 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5887e+000 </ReversedFigureOfMeritWolff> | |
| 2563 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.0205e+000 </SymmetricFigureOfMeritWolff> | |
| 2564 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2565 | - <NumberOfMillerIndicesInRange> 8.5000e+001 </NumberOfMillerIndicesInRange> | |
| 2566 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2567 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2568 | - | |
| 2569 | - <NumberOfLatticesInNeighborhood> 4 </NumberOfLatticesInNeighborhood> | |
| 2570 | - | |
| 2571 | - <EquivalentLatticeCandidates> | |
| 2572 | - <LatticeCandidate> | |
| 2573 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 2574 | - <LatticeParameters> 2.6993e+001 2.6993e+001 5.2392e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 2575 | - </LatticeCandidate> | |
| 2576 | - <LatticeCandidate> | |
| 2577 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 2578 | - <LatticeParameters> 2.6993e+001 2.6993e+001 5.2796e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 2579 | - </LatticeCandidate> | |
| 2580 | - <LatticeCandidate> | |
| 2581 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2582 | - <LatticeParameters> 3.1483e+001 5.2745e+000 2.3450e+001 9.0000e+001 1.2795e+002 9.0000e+001 </LatticeParameters> | |
| 2583 | - </LatticeCandidate> | |
| 2584 | - </EquivalentLatticeCandidates> | |
| 2585 | - | |
| 2586 | - </LatticeCandidate> | |
| 2587 | - | |
| 2588 | - <LatticeCandidate number="0103530"> | |
| 2589 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2590 | - | |
| 2591 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2592 | - <ReducedLatticeParameters> 4.6635e+000 1.8898e+001 2.1484e+001 9.3583e+001 9.5569e+001 9.2845e+001 </ReducedLatticeParameters> | |
| 2593 | - <OptimizedLatticeParameters> 4.6635e+000 1.8898e+001 2.1484e+001 9.3583e+001 9.5569e+001 9.2845e+001 </OptimizedLatticeParameters> | |
| 2594 | - | |
| 2595 | - <VolumeOfUnitCell> 1.8779e+003 </VolumeOfUnitCell> | |
| 2596 | - <FigureOfMeritWolff name="M20"> 4.4117e+000 </FigureOfMeritWolff> | |
| 2597 | - <FigureOfMeritWu name="Mwu20"> 4.1009e+000 </FigureOfMeritWu> | |
| 2598 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5211e+000 </ReversedFigureOfMeritWolff> | |
| 2599 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.7108e+000 </SymmetricFigureOfMeritWolff> | |
| 2600 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2601 | - <NumberOfMillerIndicesInRange> 1.1200e+002 </NumberOfMillerIndicesInRange> | |
| 2602 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2603 | - <NumberOfPeaksNecessaryToResolveDominantZone> 17 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2604 | - | |
| 2605 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 2606 | - | |
| 2607 | - <EquivalentLatticeCandidates> | |
| 2608 | - <LatticeCandidate> | |
| 2609 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2610 | - <LatticeParameters> 3.7728e+001 4.6437e+000 2.7639e+001 9.0000e+001 1.2927e+002 9.0000e+001 </LatticeParameters> | |
| 2611 | - </LatticeCandidate> | |
| 2612 | - <LatticeCandidate> | |
| 2613 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2614 | - <LatticeParameters> 4.6443e+000 3.7651e+001 2.1488e+001 9.0000e+001 9.5242e+001 9.0000e+001 </LatticeParameters> | |
| 2615 | - </LatticeCandidate> | |
| 2616 | - <LatticeCandidate> | |
| 2617 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2618 | - <LatticeParameters> 4.6560e+000 4.2797e+001 1.8850e+001 9.0000e+001 9.2907e+001 9.0000e+001 </LatticeParameters> | |
| 2619 | - </LatticeCandidate> | |
| 2620 | - </EquivalentLatticeCandidates> | |
| 2621 | - | |
| 2622 | - </LatticeCandidate> | |
| 2623 | - | |
| 2624 | - <LatticeCandidate number="01010724"> | |
| 2625 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2626 | - | |
| 2627 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2628 | - <ReducedLatticeParameters> 3.9388e+000 1.0224e+001 1.6508e+001 8.3416e+001 8.8276e+001 7.9244e+001 </ReducedLatticeParameters> | |
| 2629 | - <OptimizedLatticeParameters> 3.9388e+000 1.0224e+001 1.6508e+001 8.3416e+001 8.8276e+001 7.9244e+001 </OptimizedLatticeParameters> | |
| 2630 | - | |
| 2631 | - <VolumeOfUnitCell> 6.4880e+002 </VolumeOfUnitCell> | |
| 2632 | - <FigureOfMeritWolff name="M20"> 4.3966e+000 </FigureOfMeritWolff> | |
| 2633 | - <FigureOfMeritWu name="Mwu20"> 3.3238e+000 </FigureOfMeritWu> | |
| 2634 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6972e+000 </ReversedFigureOfMeritWolff> | |
| 2635 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.4618e+000 </SymmetricFigureOfMeritWolff> | |
| 2636 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2637 | - <NumberOfMillerIndicesInRange> 4.4000e+001 </NumberOfMillerIndicesInRange> | |
| 2638 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2639 | - <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2640 | - | |
| 2641 | - <NumberOfLatticesInNeighborhood> 21 </NumberOfLatticesInNeighborhood> | |
| 2642 | - | |
| 2643 | - <EquivalentLatticeCandidates> | |
| 2644 | - <LatticeCandidate> | |
| 2645 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2646 | - <LatticeParameters> 3.9260e+000 3.2744e+001 1.0162e+001 9.0000e+001 1.0100e+002 9.0000e+001 </LatticeParameters> | |
| 2647 | - </LatticeCandidate> | |
| 2648 | - <LatticeCandidate> | |
| 2649 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2650 | - <LatticeParameters> 1.0028e+001 3.2744e+001 3.9405e+000 9.0000e+001 1.0056e+002 9.0000e+001 </LatticeParameters> | |
| 2651 | - </LatticeCandidate> | |
| 2652 | - </EquivalentLatticeCandidates> | |
| 2653 | - | |
| 2654 | - </LatticeCandidate> | |
| 2655 | - | |
| 2656 | - <LatticeCandidate number="0109980"> | |
| 2657 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2658 | - | |
| 2659 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2660 | - <ReducedLatticeParameters> 5.8380e+000 7.7566e+000 1.5822e+001 8.5566e+001 8.2816e+001 8.1010e+001 </ReducedLatticeParameters> | |
| 2661 | - <OptimizedLatticeParameters> 5.8380e+000 7.7566e+000 1.5822e+001 8.5566e+001 8.2816e+001 8.1010e+001 </OptimizedLatticeParameters> | |
| 2662 | - | |
| 2663 | - <VolumeOfUnitCell> 7.0091e+002 </VolumeOfUnitCell> | |
| 2664 | - <FigureOfMeritWolff name="M20"> 4.3897e+000 </FigureOfMeritWolff> | |
| 2665 | - <FigureOfMeritWu name="Mwu20"> 3.3732e+000 </FigureOfMeritWu> | |
| 2666 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.7892e+000 </ReversedFigureOfMeritWolff> | |
| 2667 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.8542e+000 </SymmetricFigureOfMeritWolff> | |
| 2668 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2669 | - <NumberOfMillerIndicesInRange> 3.8000e+001 </NumberOfMillerIndicesInRange> | |
| 2670 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 2671 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2672 | - | |
| 2673 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 2674 | - | |
| 2675 | - <EquivalentLatticeCandidates> | |
| 2676 | - <LatticeCandidate> | |
| 2677 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2678 | - <LatticeParameters> 1.0025e+001 8.5977e+000 1.5830e+001 9.0000e+001 9.8049e+001 9.0000e+001 </LatticeParameters> | |
| 2679 | - </LatticeCandidate> | |
| 2680 | - <LatticeCandidate> | |
| 2681 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2682 | - <LatticeParameters> 5.8504e+000 3.1349e+001 7.7509e+000 9.0000e+001 9.9219e+001 9.0000e+001 </LatticeParameters> | |
| 2683 | - </LatticeCandidate> | |
| 2684 | - <LatticeCandidate> | |
| 2685 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2686 | - <LatticeParameters> 8.9104e+000 3.1349e+001 5.8339e+000 9.0000e+001 1.2224e+002 9.0000e+001 </LatticeParameters> | |
| 2687 | - </LatticeCandidate> | |
| 2688 | - <LatticeCandidate> | |
| 2689 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2690 | - <LatticeParameters> 7.6541e+000 3.1349e+001 5.8371e+000 9.0000e+001 1.0005e+002 9.0000e+001 </LatticeParameters> | |
| 2691 | - </LatticeCandidate> | |
| 2692 | - </EquivalentLatticeCandidates> | |
| 2693 | - | |
| 2694 | - </LatticeCandidate> | |
| 2695 | - | |
| 2696 | - <LatticeCandidate number="0105404"> | |
| 2697 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2698 | - | |
| 2699 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2700 | - <ReducedLatticeParameters> 4.1388e+000 1.5997e+001 1.8940e+001 9.1249e+001 9.2834e+001 9.5570e+001 </ReducedLatticeParameters> | |
| 2701 | - <OptimizedLatticeParameters> 4.1388e+000 1.5997e+001 1.8940e+001 9.1249e+001 9.2834e+001 9.5570e+001 </OptimizedLatticeParameters> | |
| 2702 | - | |
| 2703 | - <VolumeOfUnitCell> 1.2461e+003 </VolumeOfUnitCell> | |
| 2704 | - <FigureOfMeritWolff name="M20"> 4.3786e+000 </FigureOfMeritWolff> | |
| 2705 | - <FigureOfMeritWu name="Mwu20"> 4.3206e+000 </FigureOfMeritWu> | |
| 2706 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5350e+000 </ReversedFigureOfMeritWolff> | |
| 2707 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.7209e+000 </SymmetricFigureOfMeritWolff> | |
| 2708 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2709 | - <NumberOfMillerIndicesInRange> 8.6000e+001 </NumberOfMillerIndicesInRange> | |
| 2710 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2711 | - <NumberOfPeaksNecessaryToResolveDominantZone> 23 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2712 | - | |
| 2713 | - <NumberOfLatticesInNeighborhood> 15 </NumberOfLatticesInNeighborhood> | |
| 2714 | - | |
| 2715 | - <EquivalentLatticeCandidates> | |
| 2716 | - <LatticeCandidate> | |
| 2717 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2718 | - <LatticeParameters> 4.1324e+000 3.1876e+001 1.8948e+001 9.0000e+001 9.2697e+001 9.0000e+001 </LatticeParameters> | |
| 2719 | - </LatticeCandidate> | |
| 2720 | - <LatticeCandidate> | |
| 2721 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2722 | - <LatticeParameters> 3.1887e+001 4.1244e+000 2.4429e+001 9.0000e+001 1.2922e+002 9.0000e+001 </LatticeParameters> | |
| 2723 | - </LatticeCandidate> | |
| 2724 | - <LatticeCandidate> | |
| 2725 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2726 | - <LatticeParameters> 4.1267e+000 3.7854e+001 1.6011e+001 9.0000e+001 9.5480e+001 9.0000e+001 </LatticeParameters> | |
| 2727 | - </LatticeCandidate> | |
| 2728 | - </EquivalentLatticeCandidates> | |
| 2729 | - | |
| 2730 | - </LatticeCandidate> | |
| 2731 | - | |
| 2732 | - <LatticeCandidate number="0104800"> | |
| 2733 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2734 | - | |
| 2735 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2736 | - <ReducedLatticeParameters> 5.6342e+000 1.5490e+001 1.7413e+001 1.1344e+002 9.1370e+001 9.7232e+001 </ReducedLatticeParameters> | |
| 2737 | - <OptimizedLatticeParameters> 5.6342e+000 1.5490e+001 1.7413e+001 1.1344e+002 9.1370e+001 9.7232e+001 </OptimizedLatticeParameters> | |
| 2738 | - | |
| 2739 | - <VolumeOfUnitCell> 1.3786e+003 </VolumeOfUnitCell> | |
| 2740 | - <FigureOfMeritWolff name="M20"> 4.3551e+000 </FigureOfMeritWolff> | |
| 2741 | - <FigureOfMeritWu name="Mwu20"> 3.7053e+000 </FigureOfMeritWu> | |
| 2742 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5282e+000 </ReversedFigureOfMeritWolff> | |
| 2743 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.6555e+000 </SymmetricFigureOfMeritWolff> | |
| 2744 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2745 | - <NumberOfMillerIndicesInRange> 7.0000e+001 </NumberOfMillerIndicesInRange> | |
| 2746 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2747 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2748 | - | |
| 2749 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 2750 | - | |
| 2751 | - <EquivalentLatticeCandidates> | |
| 2752 | - <LatticeCandidate> | |
| 2753 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2754 | - <LatticeParameters> 3.0721e+001 5.6459e+000 1.7391e+001 9.0000e+001 1.1397e+002 9.0000e+001 </LatticeParameters> | |
| 2755 | - </LatticeCandidate> | |
| 2756 | - <LatticeCandidate> | |
| 2757 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2758 | - <LatticeParameters> 1.5778e+001 3.1782e+001 5.6337e+000 9.0000e+001 1.0339e+002 9.0000e+001 </LatticeParameters> | |
| 2759 | - </LatticeCandidate> | |
| 2760 | - <LatticeCandidate> | |
| 2761 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2762 | - <LatticeParameters> 1.5463e+001 3.1782e+001 5.6328e+000 9.0000e+001 9.6961e+001 9.0000e+001 </LatticeParameters> | |
| 2763 | - </LatticeCandidate> | |
| 2764 | - </EquivalentLatticeCandidates> | |
| 2765 | - | |
| 2766 | - </LatticeCandidate> | |
| 2767 | - | |
| 2768 | - <LatticeCandidate number="01010778"> | |
| 2769 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2770 | - | |
| 2771 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2772 | - <ReducedLatticeParameters> 4.9824e+000 1.0350e+001 1.2690e+001 8.7958e+001 8.2512e+001 8.3525e+001 </ReducedLatticeParameters> | |
| 2773 | - <OptimizedLatticeParameters> 4.9824e+000 1.0350e+001 1.2690e+001 8.7958e+001 8.2512e+001 8.3525e+001 </OptimizedLatticeParameters> | |
| 2774 | - | |
| 2775 | - <VolumeOfUnitCell> 6.4449e+002 </VolumeOfUnitCell> | |
| 2776 | - <FigureOfMeritWolff name="M20"> 4.3350e+000 </FigureOfMeritWolff> | |
| 2777 | - <FigureOfMeritWu name="Mwu20"> 3.7357e+000 </FigureOfMeritWu> | |
| 2778 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.7170e+000 </ReversedFigureOfMeritWolff> | |
| 2779 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.4431e+000 </SymmetricFigureOfMeritWolff> | |
| 2780 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2781 | - <NumberOfMillerIndicesInRange> 3.7000e+001 </NumberOfMillerIndicesInRange> | |
| 2782 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 2783 | - <NumberOfPeaksNecessaryToResolveDominantZone> 17 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2784 | - | |
| 2785 | - <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood> | |
| 2786 | - | |
| 2787 | - <EquivalentLatticeCandidates> | |
| 2788 | - <LatticeCandidate> | |
| 2789 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 2790 | - <LatticeParameters> 4.9195e+000 2.0588e+001 2.5165e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 2791 | - </LatticeCandidate> | |
| 2792 | - </EquivalentLatticeCandidates> | |
| 2793 | - | |
| 2794 | - </LatticeCandidate> | |
| 2795 | - | |
| 2796 | - <LatticeCandidate number="0104949"> | |
| 2797 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2798 | - | |
| 2799 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2800 | - <ReducedLatticeParameters> 4.0372e+000 1.7210e+001 2.0457e+001 7.0518e+001 8.9297e+001 8.9929e+001 </ReducedLatticeParameters> | |
| 2801 | - <OptimizedLatticeParameters> 4.0372e+000 1.7210e+001 2.0457e+001 1.0948e+002 9.0703e+001 8.9929e+001 </OptimizedLatticeParameters> | |
| 2802 | - | |
| 2803 | - <VolumeOfUnitCell> 1.3398e+003 </VolumeOfUnitCell> | |
| 2804 | - <FigureOfMeritWolff name="M20"> 4.3275e+000 </FigureOfMeritWolff> | |
| 2805 | - <FigureOfMeritWu name="Mwu20"> 3.9202e+000 </FigureOfMeritWu> | |
| 2806 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4238e+000 </ReversedFigureOfMeritWolff> | |
| 2807 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.1615e+000 </SymmetricFigureOfMeritWolff> | |
| 2808 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2809 | - <NumberOfMillerIndicesInRange> 9.6000e+001 </NumberOfMillerIndicesInRange> | |
| 2810 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2811 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2812 | - | |
| 2813 | - <NumberOfLatticesInNeighborhood> 4 </NumberOfLatticesInNeighborhood> | |
| 2814 | - | |
| 2815 | - <EquivalentLatticeCandidates> | |
| 2816 | - <LatticeCandidate> | |
| 2817 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2818 | - <LatticeParameters> 3.8555e+001 1.7132e+001 4.0357e+000 9.0000e+001 9.0675e+001 9.0000e+001 </LatticeParameters> | |
| 2819 | - </LatticeCandidate> | |
| 2820 | - </EquivalentLatticeCandidates> | |
| 2821 | - | |
| 2822 | - </LatticeCandidate> | |
| 2823 | - | |
| 2824 | - <LatticeCandidate number="0104869"> | |
| 2825 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2826 | - | |
| 2827 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2828 | - <ReducedLatticeParameters> 6.6907e+000 1.0611e+001 2.0197e+001 9.5049e+001 9.2550e+001 1.0737e+002 </ReducedLatticeParameters> | |
| 2829 | - <OptimizedLatticeParameters> 6.6907e+000 1.0611e+001 2.0197e+001 9.5049e+001 9.2550e+001 1.0737e+002 </OptimizedLatticeParameters> | |
| 2830 | - | |
| 2831 | - <VolumeOfUnitCell> 1.3594e+003 </VolumeOfUnitCell> | |
| 2832 | - <FigureOfMeritWolff name="M20"> 4.3050e+000 </FigureOfMeritWolff> | |
| 2833 | - <FigureOfMeritWu name="Mwu20"> 4.0412e+000 </FigureOfMeritWu> | |
| 2834 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.2233e+000 </ReversedFigureOfMeritWolff> | |
| 2835 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.2665e+000 </SymmetricFigureOfMeritWolff> | |
| 2836 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2837 | - <NumberOfMillerIndicesInRange> 7.9000e+001 </NumberOfMillerIndicesInRange> | |
| 2838 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2839 | - <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2840 | - | |
| 2841 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 2842 | - | |
| 2843 | - <EquivalentLatticeCandidates> | |
| 2844 | - <LatticeCandidate> | |
| 2845 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2846 | - <LatticeParameters> 2.0243e+001 6.6473e+000 2.1592e+001 9.0000e+001 1.1162e+002 9.0000e+001 </LatticeParameters> | |
| 2847 | - </LatticeCandidate> | |
| 2848 | - <LatticeCandidate> | |
| 2849 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2850 | - <LatticeParameters> 6.6990e+000 2.0126e+001 2.0090e+001 9.0000e+001 9.2399e+001 9.0000e+001 </LatticeParameters> | |
| 2851 | - </LatticeCandidate> | |
| 2852 | - </EquivalentLatticeCandidates> | |
| 2853 | - | |
| 2854 | - </LatticeCandidate> | |
| 2855 | - | |
| 2856 | - <LatticeCandidate number="0103480"> | |
| 2857 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2858 | - | |
| 2859 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2860 | - <ReducedLatticeParameters> 8.5720e+000 1.3200e+001 1.7242e+001 7.7919e+001 8.9974e+001 8.5080e+001 </ReducedLatticeParameters> | |
| 2861 | - <OptimizedLatticeParameters> 8.5720e+000 1.3200e+001 1.7242e+001 1.0208e+002 8.9974e+001 9.4920e+001 </OptimizedLatticeParameters> | |
| 2862 | - | |
| 2863 | - <VolumeOfUnitCell> 1.9003e+003 </VolumeOfUnitCell> | |
| 2864 | - <FigureOfMeritWolff name="M20"> 4.2992e+000 </FigureOfMeritWolff> | |
| 2865 | - <FigureOfMeritWu name="Mwu20"> 4.0793e+000 </FigureOfMeritWu> | |
| 2866 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4470e+000 </ReversedFigureOfMeritWolff> | |
| 2867 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.2211e+000 </SymmetricFigureOfMeritWolff> | |
| 2868 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2869 | - <NumberOfMillerIndicesInRange> 1.0500e+002 </NumberOfMillerIndicesInRange> | |
| 2870 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2871 | - <NumberOfPeaksNecessaryToResolveDominantZone> 7 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2872 | - | |
| 2873 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 2874 | - | |
| 2875 | - <EquivalentLatticeCandidates> | |
| 2876 | - <LatticeCandidate> | |
| 2877 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2878 | - <LatticeParameters> 2.6299e+001 8.3361e+000 1.7242e+001 9.0000e+001 1.0209e+002 9.0000e+001 </LatticeParameters> | |
| 2879 | - </LatticeCandidate> | |
| 2880 | - </EquivalentLatticeCandidates> | |
| 2881 | - | |
| 2882 | - </LatticeCandidate> | |
| 2883 | - | |
| 2884 | - <LatticeCandidate number="0108025"> | |
| 2885 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2886 | - | |
| 2887 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2888 | - <ReducedLatticeParameters> 4.0383e+000 1.0721e+001 2.0414e+001 9.2587e+001 9.0750e+001 9.7649e+001 </ReducedLatticeParameters> | |
| 2889 | - <OptimizedLatticeParameters> 4.0383e+000 1.0721e+001 2.0414e+001 9.2587e+001 9.0750e+001 9.7649e+001 </OptimizedLatticeParameters> | |
| 2890 | - | |
| 2891 | - <VolumeOfUnitCell> 8.7491e+002 </VolumeOfUnitCell> | |
| 2892 | - <FigureOfMeritWolff name="M20"> 4.2960e+000 </FigureOfMeritWolff> | |
| 2893 | - <FigureOfMeritWu name="Mwu20"> 3.4360e+000 </FigureOfMeritWu> | |
| 2894 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5284e+000 </ReversedFigureOfMeritWolff> | |
| 2895 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.5660e+000 </SymmetricFigureOfMeritWolff> | |
| 2896 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2897 | - <NumberOfMillerIndicesInRange> 6.0000e+001 </NumberOfMillerIndicesInRange> | |
| 2898 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2899 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2900 | - | |
| 2901 | - <NumberOfLatticesInNeighborhood> 12 </NumberOfLatticesInNeighborhood> | |
| 2902 | - | |
| 2903 | - <EquivalentLatticeCandidates> | |
| 2904 | - <LatticeCandidate> | |
| 2905 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2906 | - <LatticeParameters> 4.0255e+000 4.0671e+001 1.0692e+001 9.0000e+001 9.7528e+001 9.0000e+001 </LatticeParameters> | |
| 2907 | - </LatticeCandidate> | |
| 2908 | - </EquivalentLatticeCandidates> | |
| 2909 | - | |
| 2910 | - </LatticeCandidate> | |
| 2911 | - | |
| 2912 | - <LatticeCandidate number="0104069"> | |
| 2913 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2914 | - | |
| 2915 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2916 | - <ReducedLatticeParameters> 5.0152e+000 1.7394e+001 1.8907e+001 9.3982e+001 9.2691e+001 9.6747e+001 </ReducedLatticeParameters> | |
| 2917 | - <OptimizedLatticeParameters> 5.0152e+000 1.7394e+001 1.8907e+001 9.3982e+001 9.2691e+001 9.6747e+001 </OptimizedLatticeParameters> | |
| 2918 | - | |
| 2919 | - <VolumeOfUnitCell> 1.6314e+003 </VolumeOfUnitCell> | |
| 2920 | - <FigureOfMeritWolff name="M20"> 4.2938e+000 </FigureOfMeritWolff> | |
| 2921 | - <FigureOfMeritWu name="Mwu20"> 3.5039e+000 </FigureOfMeritWu> | |
| 2922 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5423e+000 </ReversedFigureOfMeritWolff> | |
| 2923 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.6223e+000 </SymmetricFigureOfMeritWolff> | |
| 2924 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2925 | - <NumberOfMillerIndicesInRange> 9.3000e+001 </NumberOfMillerIndicesInRange> | |
| 2926 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2927 | - <NumberOfPeaksNecessaryToResolveDominantZone> 14 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2928 | - | |
| 2929 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 2930 | - | |
| 2931 | - <EquivalentLatticeCandidates> | |
| 2932 | - <LatticeCandidate> | |
| 2933 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 2934 | - <LatticeParameters> 4.9812e+000 2.4529e+001 2.6526e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 2935 | - </LatticeCandidate> | |
| 2936 | - <LatticeCandidate> | |
| 2937 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2938 | - <LatticeParameters> 3.4647e+001 4.9812e+000 2.4624e+001 9.0000e+001 1.3004e+002 9.0000e+001 </LatticeParameters> | |
| 2939 | - </LatticeCandidate> | |
| 2940 | - <LatticeCandidate> | |
| 2941 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2942 | - <LatticeParameters> 2.6832e+001 2.4529e+001 4.9843e+000 9.0000e+001 9.8663e+001 9.0000e+001 </LatticeParameters> | |
| 2943 | - </LatticeCandidate> | |
| 2944 | - <LatticeCandidate> | |
| 2945 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2946 | - <LatticeParameters> 2.4711e+001 2.6526e+001 4.9977e+000 9.0000e+001 9.6965e+001 9.0000e+001 </LatticeParameters> | |
| 2947 | - </LatticeCandidate> | |
| 2948 | - <LatticeCandidate> | |
| 2949 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2950 | - <LatticeParameters> 4.9841e+000 3.7703e+001 1.7375e+001 9.0000e+001 9.6286e+001 9.0000e+001 </LatticeParameters> | |
| 2951 | - </LatticeCandidate> | |
| 2952 | - <LatticeCandidate> | |
| 2953 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2954 | - <LatticeParameters> 5.0004e+000 3.4541e+001 1.8870e+001 9.0000e+001 9.2551e+001 9.0000e+001 </LatticeParameters> | |
| 2955 | - </LatticeCandidate> | |
| 2956 | - </EquivalentLatticeCandidates> | |
| 2957 | - | |
| 2958 | - </LatticeCandidate> | |
| 2959 | - | |
| 2960 | - <LatticeCandidate number="0104090"> | |
| 2961 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 2962 | - | |
| 2963 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 2964 | - <ReducedLatticeParameters> 1.0460e+001 1.1187e+001 1.4920e+001 1.0609e+002 1.0021e+002 9.7128e+001 </ReducedLatticeParameters> | |
| 2965 | - <OptimizedLatticeParameters> 1.0460e+001 1.1187e+001 1.4920e+001 1.0609e+002 1.0021e+002 9.7128e+001 </OptimizedLatticeParameters> | |
| 2966 | - | |
| 2967 | - <VolumeOfUnitCell> 1.6229e+003 </VolumeOfUnitCell> | |
| 2968 | - <FigureOfMeritWolff name="M20"> 4.2823e+000 </FigureOfMeritWolff> | |
| 2969 | - <FigureOfMeritWu name="Mwu20"> 3.4539e+000 </FigureOfMeritWu> | |
| 2970 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.3335e+000 </ReversedFigureOfMeritWolff> | |
| 2971 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.7105e+000 </SymmetricFigureOfMeritWolff> | |
| 2972 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 2973 | - <NumberOfMillerIndicesInRange> 9.4000e+001 </NumberOfMillerIndicesInRange> | |
| 2974 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 2975 | - <NumberOfPeaksNecessaryToResolveDominantZone> 7 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 2976 | - | |
| 2977 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 2978 | - | |
| 2979 | - <EquivalentLatticeCandidates> | |
| 2980 | - <LatticeCandidate> | |
| 2981 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 2982 | - <LatticeParameters> 1.5667e+001 1.5667e+001 1.2856e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 2983 | - </LatticeCandidate> | |
| 2984 | - <LatticeCandidate> | |
| 2985 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2986 | - <LatticeParameters> 1.4306e+001 1.6189e+001 1.4875e+001 9.0000e+001 1.0998e+002 9.0000e+001 </LatticeParameters> | |
| 2987 | - </LatticeCandidate> | |
| 2988 | - <LatticeCandidate> | |
| 2989 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2990 | - <LatticeParameters> 2.2202e+001 9.8718e+000 1.4687e+001 9.0000e+001 1.0786e+002 9.0000e+001 </LatticeParameters> | |
| 2991 | - </LatticeCandidate> | |
| 2992 | - <LatticeCandidate> | |
| 2993 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2994 | - <LatticeParameters> 1.1132e+001 2.7959e+001 1.0190e+001 9.0000e+001 9.6027e+001 9.0000e+001 </LatticeParameters> | |
| 2995 | - </LatticeCandidate> | |
| 2996 | - <LatticeCandidate> | |
| 2997 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 2998 | - <LatticeParameters> 1.4191e+001 2.7959e+001 1.0377e+001 9.0000e+001 1.2873e+002 9.0000e+001 </LatticeParameters> | |
| 2999 | - </LatticeCandidate> | |
| 3000 | - </EquivalentLatticeCandidates> | |
| 3001 | - | |
| 3002 | - </LatticeCandidate> | |
| 3003 | - | |
| 3004 | - <LatticeCandidate number="0104950"> | |
| 3005 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3006 | - | |
| 3007 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3008 | - <ReducedLatticeParameters> 8.2570e+000 1.2941e+001 1.3997e+001 1.1202e+002 9.0592e+001 1.0357e+002 </ReducedLatticeParameters> | |
| 3009 | - <OptimizedLatticeParameters> 8.2570e+000 1.2941e+001 1.3997e+001 1.1202e+002 9.0592e+001 1.0357e+002 </OptimizedLatticeParameters> | |
| 3010 | - | |
| 3011 | - <VolumeOfUnitCell> 1.3397e+003 </VolumeOfUnitCell> | |
| 3012 | - <FigureOfMeritWolff name="M20"> 4.2804e+000 </FigureOfMeritWolff> | |
| 3013 | - <FigureOfMeritWu name="Mwu20"> 3.9501e+000 </FigureOfMeritWu> | |
| 3014 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4406e+000 </ReversedFigureOfMeritWolff> | |
| 3015 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.1661e+000 </SymmetricFigureOfMeritWolff> | |
| 3016 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3017 | - <NumberOfMillerIndicesInRange> 7.4000e+001 </NumberOfMillerIndicesInRange> | |
| 3018 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 3019 | - <NumberOfPeaksNecessaryToResolveDominantZone> 7 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3020 | - | |
| 3021 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 3022 | - | |
| 3023 | - <EquivalentLatticeCandidates> | |
| 3024 | - <LatticeCandidate> | |
| 3025 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3026 | - <LatticeParameters> 2.5171e+001 8.2308e+000 1.3977e+001 9.0000e+001 1.1285e+002 9.0000e+001 </LatticeParameters> | |
| 3027 | - </LatticeCandidate> | |
| 3028 | - </EquivalentLatticeCandidates> | |
| 3029 | - | |
| 3030 | - </LatticeCandidate> | |
| 3031 | - | |
| 3032 | - <LatticeCandidate number="0106279"> | |
| 3033 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3034 | - | |
| 3035 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3036 | - <ReducedLatticeParameters> 6.1508e+000 1.1245e+001 1.6511e+001 1.0303e+002 9.0064e+001 9.8639e+001 </ReducedLatticeParameters> | |
| 3037 | - <OptimizedLatticeParameters> 6.1508e+000 1.1245e+001 1.6511e+001 1.0303e+002 9.0064e+001 9.8639e+001 </OptimizedLatticeParameters> | |
| 3038 | - | |
| 3039 | - <VolumeOfUnitCell> 1.0992e+003 </VolumeOfUnitCell> | |
| 3040 | - <FigureOfMeritWolff name="M20"> 4.2763e+000 </FigureOfMeritWolff> | |
| 3041 | - <FigureOfMeritWu name="Mwu20"> 3.9520e+000 </FigureOfMeritWu> | |
| 3042 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6826e+000 </ReversedFigureOfMeritWolff> | |
| 3043 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.1952e+000 </SymmetricFigureOfMeritWolff> | |
| 3044 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3045 | - <NumberOfMillerIndicesInRange> 5.7000e+001 </NumberOfMillerIndicesInRange> | |
| 3046 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 3047 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3048 | - | |
| 3049 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 3050 | - | |
| 3051 | - <EquivalentLatticeCandidates> | |
| 3052 | - <LatticeCandidate> | |
| 3053 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3054 | - <LatticeParameters> 2.2214e+001 6.1037e+000 1.6530e+001 9.0000e+001 1.0322e+002 9.0000e+001 </LatticeParameters> | |
| 3055 | - </LatticeCandidate> | |
| 3056 | - </EquivalentLatticeCandidates> | |
| 3057 | - | |
| 3058 | - </LatticeCandidate> | |
| 3059 | - | |
| 3060 | - <LatticeCandidate number="0109143"> | |
| 3061 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3062 | - | |
| 3063 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3064 | - <ReducedLatticeParameters> 4.4853e+000 1.0414e+001 1.6871e+001 9.0297e+001 9.1678e+001 1.0160e+002 </ReducedLatticeParameters> | |
| 3065 | - <OptimizedLatticeParameters> 4.4853e+000 1.0414e+001 1.6871e+001 9.0297e+001 9.1678e+001 1.0160e+002 </OptimizedLatticeParameters> | |
| 3066 | - | |
| 3067 | - <VolumeOfUnitCell> 7.7157e+002 </VolumeOfUnitCell> | |
| 3068 | - <FigureOfMeritWolff name="M20"> 4.2717e+000 </FigureOfMeritWolff> | |
| 3069 | - <FigureOfMeritWu name="Mwu20"> 3.4824e+000 </FigureOfMeritWu> | |
| 3070 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.7103e+000 </ReversedFigureOfMeritWolff> | |
| 3071 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.3057e+000 </SymmetricFigureOfMeritWolff> | |
| 3072 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3073 | - <NumberOfMillerIndicesInRange> 5.0000e+001 </NumberOfMillerIndicesInRange> | |
| 3074 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 3075 | - <NumberOfPeaksNecessaryToResolveDominantZone> 19 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3076 | - | |
| 3077 | - <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood> | |
| 3078 | - | |
| 3079 | - <EquivalentLatticeCandidates> | |
| 3080 | - <LatticeCandidate> | |
| 3081 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3082 | - <LatticeParameters> 4.4679e+000 3.3719e+001 1.0424e+001 9.0000e+001 1.0161e+002 9.0000e+001 </LatticeParameters> | |
| 3083 | - </LatticeCandidate> | |
| 3084 | - <LatticeCandidate> | |
| 3085 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3086 | - <LatticeParameters> 4.4921e+000 2.0422e+001 1.6866e+001 9.0000e+001 9.1618e+001 9.0000e+001 </LatticeParameters> | |
| 3087 | - </LatticeCandidate> | |
| 3088 | - </EquivalentLatticeCandidates> | |
| 3089 | - | |
| 3090 | - </LatticeCandidate> | |
| 3091 | - | |
| 3092 | - <LatticeCandidate number="0105752"> | |
| 3093 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3094 | - | |
| 3095 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3096 | - <ReducedLatticeParameters> 4.3747e+000 1.2432e+001 2.1806e+001 8.7655e+001 8.6393e+001 8.9920e+001 </ReducedLatticeParameters> | |
| 3097 | - <OptimizedLatticeParameters> 4.3747e+000 1.2432e+001 2.1806e+001 9.2345e+001 9.3607e+001 8.9920e+001 </OptimizedLatticeParameters> | |
| 3098 | - | |
| 3099 | - <VolumeOfUnitCell> 1.1826e+003 </VolumeOfUnitCell> | |
| 3100 | - <FigureOfMeritWolff name="M20"> 4.2457e+000 </FigureOfMeritWolff> | |
| 3101 | - <FigureOfMeritWu name="Mwu20"> 4.1025e+000 </FigureOfMeritWu> | |
| 3102 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5097e+000 </ReversedFigureOfMeritWolff> | |
| 3103 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.4097e+000 </SymmetricFigureOfMeritWolff> | |
| 3104 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3105 | - <NumberOfMillerIndicesInRange> 7.6000e+001 </NumberOfMillerIndicesInRange> | |
| 3106 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3107 | - <NumberOfPeaksNecessaryToResolveDominantZone> 21 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3108 | - | |
| 3109 | - <NumberOfLatticesInNeighborhood> 6 </NumberOfLatticesInNeighborhood> | |
| 3110 | - | |
| 3111 | - <EquivalentLatticeCandidates> | |
| 3112 | - <LatticeCandidate> | |
| 3113 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3114 | - <LatticeParameters> 4.3660e+001 4.3646e+000 1.2420e+001 9.0000e+001 9.2596e+001 9.0000e+001 </LatticeParameters> | |
| 3115 | - </LatticeCandidate> | |
| 3116 | - </EquivalentLatticeCandidates> | |
| 3117 | - | |
| 3118 | - </LatticeCandidate> | |
| 3119 | - | |
| 3120 | - <LatticeCandidate number="0108629"> | |
| 3121 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3122 | - | |
| 3123 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3124 | - <ReducedLatticeParameters> 2.8475e+000 1.5118e+001 1.8957e+001 8.9026e+001 8.6220e+001 8.5666e+001 </ReducedLatticeParameters> | |
| 3125 | - <OptimizedLatticeParameters> 2.8475e+000 1.5118e+001 1.8957e+001 8.9026e+001 8.6220e+001 8.5666e+001 </OptimizedLatticeParameters> | |
| 3126 | - | |
| 3127 | - <VolumeOfUnitCell> 8.1191e+002 </VolumeOfUnitCell> | |
| 3128 | - <FigureOfMeritWolff name="M20"> 4.2318e+000 </FigureOfMeritWolff> | |
| 3129 | - <FigureOfMeritWu name="Mwu20"> 3.4889e+000 </FigureOfMeritWu> | |
| 3130 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.5310e+000 </ReversedFigureOfMeritWolff> | |
| 3131 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.0711e+001 </SymmetricFigureOfMeritWolff> | |
| 3132 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3133 | - <NumberOfMillerIndicesInRange> 3.0000e+001 </NumberOfMillerIndicesInRange> | |
| 3134 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 3135 | - <NumberOfPeaksNecessaryToResolveDominantZone> 50 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3136 | - | |
| 3137 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 3138 | - | |
| 3139 | - <EquivalentLatticeCandidates> | |
| 3140 | - <LatticeCandidate> | |
| 3141 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3142 | - <LatticeParameters> 3.0170e+001 2.8469e+000 2.4057e+001 9.0000e+001 1.2806e+002 9.0000e+001 </LatticeParameters> | |
| 3143 | - </LatticeCandidate> | |
| 3144 | - <LatticeCandidate> | |
| 3145 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3146 | - <LatticeParameters> 2.8470e+000 3.0167e+001 1.8984e+001 9.0000e+001 9.3805e+001 9.0000e+001 </LatticeParameters> | |
| 3147 | - </LatticeCandidate> | |
| 3148 | - </EquivalentLatticeCandidates> | |
| 3149 | - | |
| 3150 | - </LatticeCandidate> | |
| 3151 | - | |
| 3152 | - <LatticeCandidate number="0109200"> | |
| 3153 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3154 | - | |
| 3155 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3156 | - <ReducedLatticeParameters> 4.1680e+000 1.1812e+001 1.6659e+001 7.0065e+001 8.3707e+001 8.9060e+001 </ReducedLatticeParameters> | |
| 3157 | - <OptimizedLatticeParameters> 4.1680e+000 1.1812e+001 1.6659e+001 1.0993e+002 9.6293e+001 8.9060e+001 </OptimizedLatticeParameters> | |
| 3158 | - | |
| 3159 | - <VolumeOfUnitCell> 7.6614e+002 </VolumeOfUnitCell> | |
| 3160 | - <FigureOfMeritWolff name="M20"> 4.2306e+000 </FigureOfMeritWolff> | |
| 3161 | - <FigureOfMeritWu name="Mwu20"> 3.5742e+000 </FigureOfMeritWu> | |
| 3162 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5349e+000 </ReversedFigureOfMeritWolff> | |
| 3163 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.4937e+000 </SymmetricFigureOfMeritWolff> | |
| 3164 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3165 | - <NumberOfMillerIndicesInRange> 5.3000e+001 </NumberOfMillerIndicesInRange> | |
| 3166 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3167 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3168 | - | |
| 3169 | - <NumberOfLatticesInNeighborhood> 13 </NumberOfLatticesInNeighborhood> | |
| 3170 | - | |
| 3171 | - <EquivalentLatticeCandidates> | |
| 3172 | - <LatticeCandidate> | |
| 3173 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 3174 | - <LatticeParameters> 4.1698e+000 1.1805e+001 3.1115e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 3175 | - </LatticeCandidate> | |
| 3176 | - <LatticeCandidate> | |
| 3177 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3178 | - <LatticeParameters> 3.3094e+001 4.1698e+000 1.1807e+001 9.0000e+001 1.0991e+002 9.0000e+001 </LatticeParameters> | |
| 3179 | - </LatticeCandidate> | |
| 3180 | - <LatticeCandidate> | |
| 3181 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3182 | - <LatticeParameters> 3.1315e+001 1.1805e+001 4.1706e+000 9.0000e+001 9.6471e+001 9.0000e+001 </LatticeParameters> | |
| 3183 | - </LatticeCandidate> | |
| 3184 | - <LatticeCandidate> | |
| 3185 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3186 | - <LatticeParameters> 1.2459e+001 3.1115e+001 4.1703e+000 9.0000e+001 1.0864e+002 9.0000e+001 </LatticeParameters> | |
| 3187 | - </LatticeCandidate> | |
| 3188 | - </EquivalentLatticeCandidates> | |
| 3189 | - | |
| 3190 | - </LatticeCandidate> | |
| 3191 | - | |
| 3192 | - <LatticeCandidate number="01010831"> | |
| 3193 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3194 | - | |
| 3195 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3196 | - <ReducedLatticeParameters> 3.4320e+000 4.2378e+000 4.4536e+001 8.9325e+001 8.9326e+001 8.1501e+001 </ReducedLatticeParameters> | |
| 3197 | - <OptimizedLatticeParameters> 3.4320e+000 4.2378e+000 4.4536e+001 8.9325e+001 8.9326e+001 8.1501e+001 </OptimizedLatticeParameters> | |
| 3198 | - | |
| 3199 | - <VolumeOfUnitCell> 6.4055e+002 </VolumeOfUnitCell> | |
| 3200 | - <FigureOfMeritWolff name="M20"> 4.2296e+000 </FigureOfMeritWolff> | |
| 3201 | - <FigureOfMeritWu name="Mwu20"> 3.3550e+000 </FigureOfMeritWu> | |
| 3202 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8532e+000 </ReversedFigureOfMeritWolff> | |
| 3203 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.8384e+000 </SymmetricFigureOfMeritWolff> | |
| 3204 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3205 | - <NumberOfMillerIndicesInRange> 3.9000e+001 </NumberOfMillerIndicesInRange> | |
| 3206 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3207 | - <NumberOfPeaksNecessaryToResolveDominantZone> 49 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3208 | - | |
| 3209 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 3210 | - | |
| 3211 | - <EquivalentLatticeCandidates> | |
| 3212 | - <LatticeCandidate> | |
| 3213 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3214 | - <LatticeParameters> 3.4340e+000 8.9261e+001 4.2323e+000 9.0000e+001 9.8542e+001 9.0000e+001 </LatticeParameters> | |
| 3215 | - </LatticeCandidate> | |
| 3216 | - <LatticeCandidate> | |
| 3217 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3218 | - <LatticeParameters> 5.0394e+000 8.9261e+001 3.4333e+000 9.0000e+001 1.2390e+002 9.0000e+001 </LatticeParameters> | |
| 3219 | - </LatticeCandidate> | |
| 3220 | - <LatticeCandidate> | |
| 3221 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3222 | - <LatticeParameters> 4.2298e+000 8.9261e+001 3.4349e+000 9.0000e+001 9.8550e+001 9.0000e+001 </LatticeParameters> | |
| 3223 | - </LatticeCandidate> | |
| 3224 | - </EquivalentLatticeCandidates> | |
| 3225 | - | |
| 3226 | - </LatticeCandidate> | |
| 3227 | - | |
| 3228 | - <LatticeCandidate number="0109972"> | |
| 3229 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3230 | - | |
| 3231 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3232 | - <ReducedLatticeParameters> 4.5579e+000 7.1858e+000 2.1778e+001 9.7391e+001 9.3606e+001 9.5538e+001 </ReducedLatticeParameters> | |
| 3233 | - <OptimizedLatticeParameters> 4.5579e+000 7.1858e+000 2.1778e+001 9.7391e+001 9.3606e+001 9.5538e+001 </OptimizedLatticeParameters> | |
| 3234 | - | |
| 3235 | - <VolumeOfUnitCell> 7.0200e+002 </VolumeOfUnitCell> | |
| 3236 | - <FigureOfMeritWolff name="M20"> 4.2251e+000 </FigureOfMeritWolff> | |
| 3237 | - <FigureOfMeritWu name="Mwu20"> 3.9712e+000 </FigureOfMeritWu> | |
| 3238 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8541e+000 </ReversedFigureOfMeritWolff> | |
| 3239 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.8336e+000 </SymmetricFigureOfMeritWolff> | |
| 3240 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3241 | - <NumberOfMillerIndicesInRange> 4.6000e+001 </NumberOfMillerIndicesInRange> | |
| 3242 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3243 | - <NumberOfPeaksNecessaryToResolveDominantZone> 24 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3244 | - | |
| 3245 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 3246 | - | |
| 3247 | - <EquivalentLatticeCandidates> | |
| 3248 | - <LatticeCandidate> | |
| 3249 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3250 | - <LatticeParameters> 8.1196e+000 4.3082e+001 4.5529e+000 9.0000e+001 1.1839e+002 9.0000e+001 </LatticeParameters> | |
| 3251 | - </LatticeCandidate> | |
| 3252 | - </EquivalentLatticeCandidates> | |
| 3253 | - | |
| 3254 | - </LatticeCandidate> | |
| 3255 | - | |
| 3256 | - <LatticeCandidate number="0104174"> | |
| 3257 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3258 | - | |
| 3259 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3260 | - <ReducedLatticeParameters> 4.3906e+000 1.7196e+001 2.1343e+001 9.8881e+001 9.0887e+001 9.4484e+001 </ReducedLatticeParameters> | |
| 3261 | - <OptimizedLatticeParameters> 4.3906e+000 1.7196e+001 2.1343e+001 9.8881e+001 9.0887e+001 9.4484e+001 </OptimizedLatticeParameters> | |
| 3262 | - | |
| 3263 | - <VolumeOfUnitCell> 1.5866e+003 </VolumeOfUnitCell> | |
| 3264 | - <FigureOfMeritWolff name="M20"> 4.2226e+000 </FigureOfMeritWolff> | |
| 3265 | - <FigureOfMeritWu name="Mwu20"> 3.5830e+000 </FigureOfMeritWu> | |
| 3266 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4317e+000 </ReversedFigureOfMeritWolff> | |
| 3267 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.0453e+000 </SymmetricFigureOfMeritWolff> | |
| 3268 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3269 | - <NumberOfMillerIndicesInRange> 9.7000e+001 </NumberOfMillerIndicesInRange> | |
| 3270 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3271 | - <NumberOfPeaksNecessaryToResolveDominantZone> 19 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3272 | - | |
| 3273 | - <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood> | |
| 3274 | - | |
| 3275 | - <EquivalentLatticeCandidates> | |
| 3276 | - <LatticeCandidate> | |
| 3277 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3278 | - <LatticeParameters> 3.4280e+001 4.3830e+000 2.1349e+001 9.0000e+001 9.8990e+001 9.0000e+001 </LatticeParameters> | |
| 3279 | - </LatticeCandidate> | |
| 3280 | - </EquivalentLatticeCandidates> | |
| 3281 | - | |
| 3282 | - </LatticeCandidate> | |
| 3283 | - | |
| 3284 | - <LatticeCandidate number="0107906"> | |
| 3285 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3286 | - | |
| 3287 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3288 | - <ReducedLatticeParameters> 4.1466e+000 1.4386e+001 1.5039e+001 9.3952e+001 9.3220e+001 9.7197e+001 </ReducedLatticeParameters> | |
| 3289 | - <OptimizedLatticeParameters> 4.1466e+000 1.4386e+001 1.5039e+001 9.3952e+001 9.3220e+001 9.7197e+001 </OptimizedLatticeParameters> | |
| 3290 | - | |
| 3291 | - <VolumeOfUnitCell> 8.8604e+002 </VolumeOfUnitCell> | |
| 3292 | - <FigureOfMeritWolff name="M20"> 4.2221e+000 </FigureOfMeritWolff> | |
| 3293 | - <FigureOfMeritWu name="Mwu20"> 3.7094e+000 </FigureOfMeritWu> | |
| 3294 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.7772e+000 </ReversedFigureOfMeritWolff> | |
| 3295 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.5034e+000 </SymmetricFigureOfMeritWolff> | |
| 3296 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3297 | - <NumberOfMillerIndicesInRange> 5.9000e+001 </NumberOfMillerIndicesInRange> | |
| 3298 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3299 | - <NumberOfPeaksNecessaryToResolveDominantZone> 24 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3300 | - | |
| 3301 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 3302 | - | |
| 3303 | - <EquivalentLatticeCandidates> | |
| 3304 | - </EquivalentLatticeCandidates> | |
| 3305 | - | |
| 3306 | - </LatticeCandidate> | |
| 3307 | - | |
| 3308 | - <LatticeCandidate number="0107314"> | |
| 3309 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3310 | - | |
| 3311 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3312 | - <ReducedLatticeParameters> 5.7574e+000 6.2402e+000 2.7547e+001 9.2813e+001 9.5169e+001 1.0423e+002 </ReducedLatticeParameters> | |
| 3313 | - <OptimizedLatticeParameters> 5.7574e+000 6.2402e+000 2.7630e+001 8.4251e+001 8.3192e+001 7.5765e+001 </OptimizedLatticeParameters> | |
| 3314 | - | |
| 3315 | - <VolumeOfUnitCell> 9.5281e+002 </VolumeOfUnitCell> | |
| 3316 | - <FigureOfMeritWolff name="M20"> 4.2194e+000 </FigureOfMeritWolff> | |
| 3317 | - <FigureOfMeritWu name="Mwu20"> 4.1932e+000 </FigureOfMeritWu> | |
| 3318 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.3654e+000 </ReversedFigureOfMeritWolff> | |
| 3319 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.9809e+000 </SymmetricFigureOfMeritWolff> | |
| 3320 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3321 | - <NumberOfMillerIndicesInRange> 4.8000e+001 </NumberOfMillerIndicesInRange> | |
| 3322 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3323 | - <NumberOfPeaksNecessaryToResolveDominantZone> 15 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3324 | - | |
| 3325 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 3326 | - | |
| 3327 | - <EquivalentLatticeCandidates> | |
| 3328 | - <LatticeCandidate> | |
| 3329 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 3330 | - <LatticeParameters> 6.6876e+000 6.6876e+000 8.2002e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 3331 | - </LatticeCandidate> | |
| 3332 | - <LatticeCandidate> | |
| 3333 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 3334 | - <LatticeParameters> 7.3421e+000 9.4206e+000 5.4668e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 3335 | - </LatticeCandidate> | |
| 3336 | - <LatticeCandidate> | |
| 3337 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3338 | - <LatticeParameters> 9.4257e+000 7.3421e+000 2.7599e+001 9.0000e+001 9.7938e+001 9.0000e+001 </LatticeParameters> | |
| 3339 | - </LatticeCandidate> | |
| 3340 | - <LatticeCandidate> | |
| 3341 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3342 | - <LatticeParameters> 1.2110e+001 5.6005e+000 2.7634e+001 9.0000e+001 9.8454e+001 9.0000e+001 </LatticeParameters> | |
| 3343 | - </LatticeCandidate> | |
| 3344 | - <LatticeCandidate> | |
| 3345 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3346 | - <LatticeParameters> 7.3698e+000 5.4668e+001 5.7371e+000 9.0000e+001 1.2481e+002 9.0000e+001 </LatticeParameters> | |
| 3347 | - </LatticeCandidate> | |
| 3348 | - <LatticeCandidate> | |
| 3349 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3350 | - <LatticeParameters> 6.2456e+000 5.4668e+001 5.7140e+000 9.0000e+001 1.0435e+002 9.0000e+001 </LatticeParameters> | |
| 3351 | - </LatticeCandidate> | |
| 3352 | - <LatticeCandidate> | |
| 3353 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3354 | - <LatticeParameters> 7.3436e+000 9.4206e+000 2.7512e+001 9.0000e+001 9.6509e+001 9.0000e+001 </LatticeParameters> | |
| 3355 | - </LatticeCandidate> | |
| 3356 | - <LatticeCandidate> | |
| 3357 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3358 | - <LatticeParameters> 5.6029e+000 1.2078e+001 2.7407e+001 9.0000e+001 9.4171e+001 9.0000e+001 </LatticeParameters> | |
| 3359 | - </LatticeCandidate> | |
| 3360 | - <LatticeCandidate> | |
| 3361 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3362 | - <LatticeParameters> 5.7371e+000 5.4668e+001 6.2291e+000 9.0000e+001 1.0419e+002 9.0000e+001 </LatticeParameters> | |
| 3363 | - </LatticeCandidate> | |
| 3364 | - </EquivalentLatticeCandidates> | |
| 3365 | - | |
| 3366 | - </LatticeCandidate> | |
| 3367 | - | |
| 3368 | - <LatticeCandidate number="01015147"> | |
| 3369 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3370 | - | |
| 3371 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3372 | - <ReducedLatticeParameters> 4.0247e+000 9.7660e+000 1.1166e+001 9.0825e+001 9.8652e+001 9.6609e+001 </ReducedLatticeParameters> | |
| 3373 | - <OptimizedLatticeParameters> 4.0247e+000 9.7660e+000 1.1166e+001 9.0825e+001 9.8652e+001 9.6609e+001 </OptimizedLatticeParameters> | |
| 3374 | - | |
| 3375 | - <VolumeOfUnitCell> 4.3080e+002 </VolumeOfUnitCell> | |
| 3376 | - <FigureOfMeritWolff name="M20"> 4.2178e+000 </FigureOfMeritWolff> | |
| 3377 | - <FigureOfMeritWu name="Mwu20"> 3.1480e+000 </FigureOfMeritWu> | |
| 3378 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.7420e+000 </ReversedFigureOfMeritWolff> | |
| 3379 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.3472e+000 </SymmetricFigureOfMeritWolff> | |
| 3380 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3381 | - <NumberOfMillerIndicesInRange> 3.2000e+001 </NumberOfMillerIndicesInRange> | |
| 3382 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 3383 | - <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3384 | - | |
| 3385 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 3386 | - | |
| 3387 | - <EquivalentLatticeCandidates> | |
| 3388 | - <LatticeCandidate> | |
| 3389 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3390 | - <LatticeParameters> 4.0198e+000 2.2066e+001 9.7546e+000 9.0000e+001 9.6525e+001 9.0000e+001 </LatticeParameters> | |
| 3391 | - </LatticeCandidate> | |
| 3392 | - </EquivalentLatticeCandidates> | |
| 3393 | - | |
| 3394 | - </LatticeCandidate> | |
| 3395 | - | |
| 3396 | - <LatticeCandidate number="01013199"> | |
| 3397 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3398 | - | |
| 3399 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3400 | - <ReducedLatticeParameters> 4.2276e+000 1.0403e+001 1.2554e+001 6.8868e+001 8.9580e+001 8.3882e+001 </ReducedLatticeParameters> | |
| 3401 | - <OptimizedLatticeParameters> 4.2276e+000 1.0403e+001 1.2554e+001 1.1113e+002 8.9580e+001 9.6118e+001 </OptimizedLatticeParameters> | |
| 3402 | - | |
| 3403 | - <VolumeOfUnitCell> 5.1180e+002 </VolumeOfUnitCell> | |
| 3404 | - <FigureOfMeritWolff name="M20"> 4.2061e+000 </FigureOfMeritWolff> | |
| 3405 | - <FigureOfMeritWu name="Mwu20"> 3.8687e+000 </FigureOfMeritWu> | |
| 3406 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0500e+000 </ReversedFigureOfMeritWolff> | |
| 3407 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.6224e+000 </SymmetricFigureOfMeritWolff> | |
| 3408 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3409 | - <NumberOfMillerIndicesInRange> 3.5000e+001 </NumberOfMillerIndicesInRange> | |
| 3410 | - <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks> | |
| 3411 | - <NumberOfPeaksNecessaryToResolveDominantZone> 24 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3412 | - | |
| 3413 | - <NumberOfLatticesInNeighborhood> 20 </NumberOfLatticesInNeighborhood> | |
| 3414 | - | |
| 3415 | - <EquivalentLatticeCandidates> | |
| 3416 | - </EquivalentLatticeCandidates> | |
| 3417 | - | |
| 3418 | - </LatticeCandidate> | |
| 3419 | - | |
| 3420 | - <LatticeCandidate number="0104942"> | |
| 3421 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3422 | - | |
| 3423 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3424 | - <ReducedLatticeParameters> 4.9293e+000 1.4583e+001 1.8759e+001 8.5330e+001 8.6383e+001 8.8177e+001 </ReducedLatticeParameters> | |
| 3425 | - <OptimizedLatticeParameters> 4.9293e+000 1.4583e+001 1.8759e+001 8.5330e+001 8.6383e+001 8.8177e+001 </OptimizedLatticeParameters> | |
| 3426 | - | |
| 3427 | - <VolumeOfUnitCell> 1.3409e+003 </VolumeOfUnitCell> | |
| 3428 | - <FigureOfMeritWolff name="M20"> 4.1976e+000 </FigureOfMeritWolff> | |
| 3429 | - <FigureOfMeritWu name="Mwu20"> 4.1579e+000 </FigureOfMeritWu> | |
| 3430 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6436e+000 </ReversedFigureOfMeritWolff> | |
| 3431 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.8993e+000 </SymmetricFigureOfMeritWolff> | |
| 3432 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3433 | - <NumberOfMillerIndicesInRange> 7.8000e+001 </NumberOfMillerIndicesInRange> | |
| 3434 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3435 | - <NumberOfPeaksNecessaryToResolveDominantZone> 15 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3436 | - | |
| 3437 | - <NumberOfLatticesInNeighborhood> 4 </NumberOfLatticesInNeighborhood> | |
| 3438 | - | |
| 3439 | - <EquivalentLatticeCandidates> | |
| 3440 | - </EquivalentLatticeCandidates> | |
| 3441 | - | |
| 3442 | - </LatticeCandidate> | |
| 3443 | - | |
| 3444 | - <LatticeCandidate number="0106872"> | |
| 3445 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3446 | - | |
| 3447 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3448 | - <ReducedLatticeParameters> 4.1828e+000 1.0267e+001 2.3665e+001 9.1247e+001 9.0411e+001 9.4139e+001 </ReducedLatticeParameters> | |
| 3449 | - <OptimizedLatticeParameters> 4.1828e+000 1.0267e+001 2.3665e+001 9.1247e+001 9.0411e+001 9.4139e+001 </OptimizedLatticeParameters> | |
| 3450 | - | |
| 3451 | - <VolumeOfUnitCell> 1.0134e+003 </VolumeOfUnitCell> | |
| 3452 | - <FigureOfMeritWolff name="M20"> 4.1761e+000 </FigureOfMeritWolff> | |
| 3453 | - <FigureOfMeritWu name="Mwu20"> 3.9984e+000 </FigureOfMeritWu> | |
| 3454 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5020e+000 </ReversedFigureOfMeritWolff> | |
| 3455 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.2727e+000 </SymmetricFigureOfMeritWolff> | |
| 3456 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3457 | - <NumberOfMillerIndicesInRange> 7.1000e+001 </NumberOfMillerIndicesInRange> | |
| 3458 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3459 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3460 | - | |
| 3461 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 3462 | - | |
| 3463 | - <EquivalentLatticeCandidates> | |
| 3464 | - </EquivalentLatticeCandidates> | |
| 3465 | - | |
| 3466 | - </LatticeCandidate> | |
| 3467 | - | |
| 3468 | - <LatticeCandidate number="0109550"> | |
| 3469 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3470 | - | |
| 3471 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3472 | - <ReducedLatticeParameters> 6.4348e+000 8.9704e+000 1.3168e+001 9.8076e+001 9.5895e+001 9.9464e+001 </ReducedLatticeParameters> | |
| 3473 | - <OptimizedLatticeParameters> 6.4348e+000 8.9704e+000 1.3168e+001 9.8076e+001 9.5895e+001 9.9464e+001 </OptimizedLatticeParameters> | |
| 3474 | - | |
| 3475 | - <VolumeOfUnitCell> 7.3610e+002 </VolumeOfUnitCell> | |
| 3476 | - <FigureOfMeritWolff name="M20"> 4.1647e+000 </FigureOfMeritWolff> | |
| 3477 | - <FigureOfMeritWu name="Mwu20"> 3.3399e+000 </FigureOfMeritWu> | |
| 3478 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6701e+000 </ReversedFigureOfMeritWolff> | |
| 3479 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.9555e+000 </SymmetricFigureOfMeritWolff> | |
| 3480 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3481 | - <NumberOfMillerIndicesInRange> 3.9000e+001 </NumberOfMillerIndicesInRange> | |
| 3482 | - <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks> | |
| 3483 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3484 | - | |
| 3485 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 3486 | - | |
| 3487 | - <EquivalentLatticeCandidates> | |
| 3488 | - </EquivalentLatticeCandidates> | |
| 3489 | - | |
| 3490 | - </LatticeCandidate> | |
| 3491 | - | |
| 3492 | - <LatticeCandidate number="01014760"> | |
| 3493 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3494 | - | |
| 3495 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3496 | - <ReducedLatticeParameters> 4.5313e+000 8.0460e+000 1.2790e+001 7.6963e+001 7.9805e+001 8.8724e+001 </ReducedLatticeParameters> | |
| 3497 | - <OptimizedLatticeParameters> 4.5313e+000 8.0460e+000 1.2790e+001 1.0304e+002 1.0019e+002 8.8724e+001 </OptimizedLatticeParameters> | |
| 3498 | - | |
| 3499 | - <VolumeOfUnitCell> 4.4703e+002 </VolumeOfUnitCell> | |
| 3500 | - <FigureOfMeritWolff name="M20"> 4.1637e+000 </FigureOfMeritWolff> | |
| 3501 | - <FigureOfMeritWu name="Mwu20"> 3.5131e+000 </FigureOfMeritWu> | |
| 3502 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.5185e+000 </ReversedFigureOfMeritWolff> | |
| 3503 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.0486e+001 </SymmetricFigureOfMeritWolff> | |
| 3504 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3505 | - <NumberOfMillerIndicesInRange> 2.8000e+001 </NumberOfMillerIndicesInRange> | |
| 3506 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 3507 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3508 | - | |
| 3509 | - <NumberOfLatticesInNeighborhood> 7 </NumberOfLatticesInNeighborhood> | |
| 3510 | - | |
| 3511 | - <EquivalentLatticeCandidates> | |
| 3512 | - </EquivalentLatticeCandidates> | |
| 3513 | - | |
| 3514 | - </LatticeCandidate> | |
| 3515 | - | |
| 3516 | - <LatticeCandidate number="0105493"> | |
| 3517 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3518 | - | |
| 3519 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3520 | - <ReducedLatticeParameters> 4.4246e+000 1.1526e+001 2.4356e+001 9.6957e+001 9.3446e+001 9.1083e+001 </ReducedLatticeParameters> | |
| 3521 | - <OptimizedLatticeParameters> 4.4246e+000 1.1526e+001 2.4356e+001 9.6957e+001 9.3446e+001 9.1083e+001 </OptimizedLatticeParameters> | |
| 3522 | - | |
| 3523 | - <VolumeOfUnitCell> 1.2303e+003 </VolumeOfUnitCell> | |
| 3524 | - <FigureOfMeritWolff name="M20"> 4.1611e+000 </FigureOfMeritWolff> | |
| 3525 | - <FigureOfMeritWu name="Mwu20"> 3.5806e+000 </FigureOfMeritWu> | |
| 3526 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5295e+000 </ReversedFigureOfMeritWolff> | |
| 3527 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.3646e+000 </SymmetricFigureOfMeritWolff> | |
| 3528 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3529 | - <NumberOfMillerIndicesInRange> 7.7000e+001 </NumberOfMillerIndicesInRange> | |
| 3530 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3531 | - <NumberOfPeaksNecessaryToResolveDominantZone> 21 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3532 | - | |
| 3533 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 3534 | - | |
| 3535 | - <EquivalentLatticeCandidates> | |
| 3536 | - <LatticeCandidate> | |
| 3537 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3538 | - <LatticeParameters> 2.3053e+001 4.3566e+000 2.5578e+001 9.0000e+001 1.0932e+002 9.0000e+001 </LatticeParameters> | |
| 3539 | - </LatticeCandidate> | |
| 3540 | - <LatticeCandidate> | |
| 3541 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3542 | - <LatticeParameters> 1.1461e+001 4.8275e+001 4.3962e+000 9.0000e+001 9.1872e+001 9.0000e+001 </LatticeParameters> | |
| 3543 | - </LatticeCandidate> | |
| 3544 | - <LatticeCandidate> | |
| 3545 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3546 | - <LatticeParameters> 1.2189e+001 4.8275e+001 4.4258e+000 9.0000e+001 1.0998e+002 9.0000e+001 </LatticeParameters> | |
| 3547 | - </LatticeCandidate> | |
| 3548 | - <LatticeCandidate> | |
| 3549 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3550 | - <LatticeParameters> 4.4252e+000 4.8275e+001 1.1436e+001 9.0000e+001 9.0877e+001 9.0000e+001 </LatticeParameters> | |
| 3551 | - </LatticeCandidate> | |
| 3552 | - </EquivalentLatticeCandidates> | |
| 3553 | - | |
| 3554 | - </LatticeCandidate> | |
| 3555 | - | |
| 3556 | - <LatticeCandidate number="0103834"> | |
| 3557 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3558 | - | |
| 3559 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3560 | - <ReducedLatticeParameters> 4.8681e+000 7.5174e+000 4.7617e+001 8.6702e+001 8.9681e+001 8.6671e+001 </ReducedLatticeParameters> | |
| 3561 | - <OptimizedLatticeParameters> 4.8681e+000 7.5174e+000 4.7617e+001 8.6702e+001 8.9681e+001 8.6671e+001 </OptimizedLatticeParameters> | |
| 3562 | - | |
| 3563 | - <VolumeOfUnitCell> 1.7367e+003 </VolumeOfUnitCell> | |
| 3564 | - <FigureOfMeritWolff name="M20"> 4.1560e+000 </FigureOfMeritWolff> | |
| 3565 | - <FigureOfMeritWu name="Mwu20"> 3.9474e+000 </FigureOfMeritWu> | |
| 3566 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6980e+000 </ReversedFigureOfMeritWolff> | |
| 3567 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.0567e+000 </SymmetricFigureOfMeritWolff> | |
| 3568 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3569 | - <NumberOfMillerIndicesInRange> 1.0500e+002 </NumberOfMillerIndicesInRange> | |
| 3570 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3571 | - <NumberOfPeaksNecessaryToResolveDominantZone> 20 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3572 | - | |
| 3573 | - <NumberOfLatticesInNeighborhood> 25 </NumberOfLatticesInNeighborhood> | |
| 3574 | - | |
| 3575 | - <EquivalentLatticeCandidates> | |
| 3576 | - <LatticeCandidate> | |
| 3577 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3578 | - <LatticeParameters> 1.5011e+001 4.7000e+000 4.7763e+001 9.0000e+001 9.5776e+001 9.0000e+001 </LatticeParameters> | |
| 3579 | - </LatticeCandidate> | |
| 3580 | - <LatticeCandidate> | |
| 3581 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3582 | - <LatticeParameters> 8.7197e+000 9.5042e+001 4.8608e+000 9.0000e+001 1.2062e+002 9.0000e+001 </LatticeParameters> | |
| 3583 | - </LatticeCandidate> | |
| 3584 | - <LatticeCandidate> | |
| 3585 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3586 | - <LatticeParameters> 7.5160e+000 9.5042e+001 4.8668e+000 9.0000e+001 9.3268e+001 9.0000e+001 </LatticeParameters> | |
| 3587 | - </LatticeCandidate> | |
| 3588 | - <LatticeCandidate> | |
| 3589 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3590 | - <LatticeParameters> 4.8619e+000 9.5042e+001 7.5069e+000 9.0000e+001 9.3414e+001 9.0000e+001 </LatticeParameters> | |
| 3591 | - </LatticeCandidate> | |
| 3592 | - <LatticeCandidate> | |
| 3593 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3594 | - <LatticeParameters> 4.7019e+000 1.4987e+001 4.7531e+001 9.0000e+001 9.1169e+001 9.0000e+001 </LatticeParameters> | |
| 3595 | - </LatticeCandidate> | |
| 3596 | - </EquivalentLatticeCandidates> | |
| 3597 | - | |
| 3598 | - </LatticeCandidate> | |
| 3599 | - | |
| 3600 | - <LatticeCandidate number="01011548"> | |
| 3601 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3602 | - | |
| 3603 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3604 | - <ReducedLatticeParameters> 4.0022e+000 8.8632e+000 1.6862e+001 8.8346e+001 8.8744e+001 8.4455e+001 </ReducedLatticeParameters> | |
| 3605 | - <OptimizedLatticeParameters> 4.0022e+000 8.8632e+000 1.6862e+001 8.8346e+001 8.8744e+001 8.4455e+001 </OptimizedLatticeParameters> | |
| 3606 | - | |
| 3607 | - <VolumeOfUnitCell> 5.9499e+002 </VolumeOfUnitCell> | |
| 3608 | - <FigureOfMeritWolff name="M20"> 4.1501e+000 </FigureOfMeritWolff> | |
| 3609 | - <FigureOfMeritWu name="Mwu20"> 3.1727e+000 </FigureOfMeritWu> | |
| 3610 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6818e+000 </ReversedFigureOfMeritWolff> | |
| 3611 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.9798e+000 </SymmetricFigureOfMeritWolff> | |
| 3612 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3613 | - <NumberOfMillerIndicesInRange> 4.2000e+001 </NumberOfMillerIndicesInRange> | |
| 3614 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 3615 | - <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3616 | - | |
| 3617 | - <NumberOfLatticesInNeighborhood> 33 </NumberOfLatticesInNeighborhood> | |
| 3618 | - | |
| 3619 | - <EquivalentLatticeCandidates> | |
| 3620 | - </EquivalentLatticeCandidates> | |
| 3621 | - | |
| 3622 | - </LatticeCandidate> | |
| 3623 | - | |
| 3624 | - <LatticeCandidate number="0103333"> | |
| 3625 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3626 | - | |
| 3627 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3628 | - <ReducedLatticeParameters> 5.0604e+000 1.8884e+001 2.1735e+001 7.4144e+001 8.5278e+001 8.9744e+001 </ReducedLatticeParameters> | |
| 3629 | - <OptimizedLatticeParameters> 5.0604e+000 1.8884e+001 2.1735e+001 1.0586e+002 9.4722e+001 8.9744e+001 </OptimizedLatticeParameters> | |
| 3630 | - | |
| 3631 | - <VolumeOfUnitCell> 1.9909e+003 </VolumeOfUnitCell> | |
| 3632 | - <FigureOfMeritWolff name="M20"> 4.1432e+000 </FigureOfMeritWolff> | |
| 3633 | - <FigureOfMeritWu name="Mwu20"> 3.6840e+000 </FigureOfMeritWu> | |
| 3634 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4013e+000 </ReversedFigureOfMeritWolff> | |
| 3635 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.8059e+000 </SymmetricFigureOfMeritWolff> | |
| 3636 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3637 | - <NumberOfMillerIndicesInRange> 1.1200e+002 </NumberOfMillerIndicesInRange> | |
| 3638 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3639 | - <NumberOfPeaksNecessaryToResolveDominantZone> 14 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3640 | - | |
| 3641 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 3642 | - | |
| 3643 | - <EquivalentLatticeCandidates> | |
| 3644 | - <LatticeCandidate> | |
| 3645 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3646 | - <LatticeParameters> 4.3316e+001 5.0653e+000 1.8863e+001 9.0000e+001 1.0591e+002 9.0000e+001 </LatticeParameters> | |
| 3647 | - </LatticeCandidate> | |
| 3648 | - </EquivalentLatticeCandidates> | |
| 3649 | - | |
| 3650 | - </LatticeCandidate> | |
| 3651 | - | |
| 3652 | - <LatticeCandidate number="0108142"> | |
| 3653 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3654 | - | |
| 3655 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3656 | - <ReducedLatticeParameters> 4.0999e+000 1.4793e+001 1.5006e+001 7.1626e+001 8.7523e+001 8.4847e+001 </ReducedLatticeParameters> | |
| 3657 | - <OptimizedLatticeParameters> 4.0999e+000 1.4793e+001 1.5006e+001 7.1626e+001 8.7523e+001 8.4847e+001 </OptimizedLatticeParameters> | |
| 3658 | - | |
| 3659 | - <VolumeOfUnitCell> 8.6009e+002 </VolumeOfUnitCell> | |
| 3660 | - <FigureOfMeritWolff name="M20"> 4.1184e+000 </FigureOfMeritWolff> | |
| 3661 | - <FigureOfMeritWu name="Mwu20"> 3.3245e+000 </FigureOfMeritWu> | |
| 3662 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8576e+000 </ReversedFigureOfMeritWolff> | |
| 3663 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.6505e+000 </SymmetricFigureOfMeritWolff> | |
| 3664 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3665 | - <NumberOfMillerIndicesInRange> 5.9000e+001 </NumberOfMillerIndicesInRange> | |
| 3666 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3667 | - <NumberOfPeaksNecessaryToResolveDominantZone> 24 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3668 | - | |
| 3669 | - <NumberOfLatticesInNeighborhood> 11 </NumberOfLatticesInNeighborhood> | |
| 3670 | - | |
| 3671 | - <EquivalentLatticeCandidates> | |
| 3672 | - <LatticeCandidate> | |
| 3673 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 3674 | - <LatticeParameters> 2.5287e+001 2.5287e+001 4.0551e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 3675 | - </LatticeCandidate> | |
| 3676 | - <LatticeCandidate> | |
| 3677 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 3678 | - <LatticeParameters> 2.5287e+001 2.5287e+001 4.0777e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 3679 | - </LatticeCandidate> | |
| 3680 | - <LatticeCandidate> | |
| 3681 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3682 | - <LatticeParameters> 1.4580e+001 2.8442e+001 4.0972e+000 9.0000e+001 9.5156e+001 9.0000e+001 </LatticeParameters> | |
| 3683 | - </LatticeCandidate> | |
| 3684 | - <LatticeCandidate> | |
| 3685 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3686 | - <LatticeParameters> 2.4198e+001 1.7426e+001 4.0944e+000 9.0000e+001 9.4694e+001 9.0000e+001 </LatticeParameters> | |
| 3687 | - </LatticeCandidate> | |
| 3688 | - </EquivalentLatticeCandidates> | |
| 3689 | - | |
| 3690 | - </LatticeCandidate> | |
| 3691 | - | |
| 3692 | - <LatticeCandidate number="01011723"> | |
| 3693 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3694 | - | |
| 3695 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3696 | - <ReducedLatticeParameters> 3.9098e+000 1.2201e+001 1.3002e+001 7.1024e+001 8.7277e+001 8.8569e+001 </ReducedLatticeParameters> | |
| 3697 | - <OptimizedLatticeParameters> 3.9098e+000 1.2201e+001 1.3002e+001 7.1024e+001 8.7277e+001 8.8569e+001 </OptimizedLatticeParameters> | |
| 3698 | - | |
| 3699 | - <VolumeOfUnitCell> 5.8586e+002 </VolumeOfUnitCell> | |
| 3700 | - <FigureOfMeritWolff name="M20"> 4.1113e+000 </FigureOfMeritWolff> | |
| 3701 | - <FigureOfMeritWu name="Mwu20"> 3.9208e+000 </FigureOfMeritWu> | |
| 3702 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1256e+000 </ReversedFigureOfMeritWolff> | |
| 3703 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.7391e+000 </SymmetricFigureOfMeritWolff> | |
| 3704 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3705 | - <NumberOfMillerIndicesInRange> 4.2000e+001 </NumberOfMillerIndicesInRange> | |
| 3706 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 3707 | - <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3708 | - | |
| 3709 | - <NumberOfLatticesInNeighborhood> 15 </NumberOfLatticesInNeighborhood> | |
| 3710 | - | |
| 3711 | - <EquivalentLatticeCandidates> | |
| 3712 | - </EquivalentLatticeCandidates> | |
| 3713 | - | |
| 3714 | - </LatticeCandidate> | |
| 3715 | - | |
| 3716 | - <LatticeCandidate number="0104183"> | |
| 3717 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3718 | - | |
| 3719 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3720 | - <ReducedLatticeParameters> 5.7695e+000 1.1953e+001 2.3801e+001 7.6062e+001 8.9938e+001 8.3800e+001 </ReducedLatticeParameters> | |
| 3721 | - <OptimizedLatticeParameters> 5.7695e+000 1.1953e+001 2.3801e+001 1.0394e+002 8.9938e+001 9.6200e+001 </OptimizedLatticeParameters> | |
| 3722 | - | |
| 3723 | - <VolumeOfUnitCell> 1.5833e+003 </VolumeOfUnitCell> | |
| 3724 | - <FigureOfMeritWolff name="M20"> 4.1037e+000 </FigureOfMeritWolff> | |
| 3725 | - <FigureOfMeritWu name="Mwu20"> 3.3491e+000 </FigureOfMeritWu> | |
| 3726 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5599e+000 </ReversedFigureOfMeritWolff> | |
| 3727 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.4014e+000 </SymmetricFigureOfMeritWolff> | |
| 3728 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3729 | - <NumberOfMillerIndicesInRange> 8.5000e+001 </NumberOfMillerIndicesInRange> | |
| 3730 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3731 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3732 | - | |
| 3733 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 3734 | - | |
| 3735 | - <EquivalentLatticeCandidates> | |
| 3736 | - <LatticeCandidate> | |
| 3737 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3738 | - <LatticeParameters> 2.3767e+001 5.7149e+000 2.3801e+001 9.0000e+001 1.0402e+002 9.0000e+001 </LatticeParameters> | |
| 3739 | - </LatticeCandidate> | |
| 3740 | - <LatticeCandidate> | |
| 3741 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3742 | - <LatticeParameters> 1.2688e+001 4.6185e+001 5.7420e+000 9.0000e+001 1.1052e+002 9.0000e+001 </LatticeParameters> | |
| 3743 | - </LatticeCandidate> | |
| 3744 | - <LatticeCandidate> | |
| 3745 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3746 | - <LatticeParameters> 1.1953e+001 4.6185e+001 5.7674e+000 9.0000e+001 9.6187e+001 9.0000e+001 </LatticeParameters> | |
| 3747 | - </LatticeCandidate> | |
| 3748 | - </EquivalentLatticeCandidates> | |
| 3749 | - | |
| 3750 | - </LatticeCandidate> | |
| 3751 | - | |
| 3752 | - <LatticeCandidate number="0106191"> | |
| 3753 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3754 | - | |
| 3755 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3756 | - <ReducedLatticeParameters> 4.6546e+000 1.5044e+001 1.7109e+001 1.1050e+002 9.5717e+001 9.1291e+001 </ReducedLatticeParameters> | |
| 3757 | - <OptimizedLatticeParameters> 4.6546e+000 1.5044e+001 1.7109e+001 1.1050e+002 9.5717e+001 9.1291e+001 </OptimizedLatticeParameters> | |
| 3758 | - | |
| 3759 | - <VolumeOfUnitCell> 1.1144e+003 </VolumeOfUnitCell> | |
| 3760 | - <FigureOfMeritWolff name="M20"> 4.1010e+000 </FigureOfMeritWolff> | |
| 3761 | - <FigureOfMeritWu name="Mwu20"> 4.2187e+000 </FigureOfMeritWu> | |
| 3762 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.9329e+000 </ReversedFigureOfMeritWolff> | |
| 3763 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.9270e+000 </SymmetricFigureOfMeritWolff> | |
| 3764 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3765 | - <NumberOfMillerIndicesInRange> 7.0000e+001 </NumberOfMillerIndicesInRange> | |
| 3766 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3767 | - <NumberOfPeaksNecessaryToResolveDominantZone> 18 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3768 | - | |
| 3769 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 3770 | - | |
| 3771 | - <EquivalentLatticeCandidates> | |
| 3772 | - <LatticeCandidate> | |
| 3773 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3774 | - <LatticeParameters> 3.4059e+001 4.6436e+000 1.5077e+001 9.0000e+001 1.1062e+002 9.0000e+001 </LatticeParameters> | |
| 3775 | - </LatticeCandidate> | |
| 3776 | - </EquivalentLatticeCandidates> | |
| 3777 | - | |
| 3778 | - </LatticeCandidate> | |
| 3779 | - | |
| 3780 | - <LatticeCandidate number="01015391"> | |
| 3781 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3782 | - | |
| 3783 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3784 | - <ReducedLatticeParameters> 4.0015e+000 5.7914e+000 1.8591e+001 8.4069e+001 8.7425e+001 8.0064e+001 </ReducedLatticeParameters> | |
| 3785 | - <OptimizedLatticeParameters> 4.0015e+000 5.7914e+000 1.8591e+001 8.4069e+001 8.7425e+001 8.0064e+001 </OptimizedLatticeParameters> | |
| 3786 | - | |
| 3787 | - <VolumeOfUnitCell> 4.2194e+002 </VolumeOfUnitCell> | |
| 3788 | - <FigureOfMeritWolff name="M20"> 4.0761e+000 </FigureOfMeritWolff> | |
| 3789 | - <FigureOfMeritWu name="Mwu20"> 3.0233e+000 </FigureOfMeritWu> | |
| 3790 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1115e+000 </ReversedFigureOfMeritWolff> | |
| 3791 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.6068e+000 </SymmetricFigureOfMeritWolff> | |
| 3792 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3793 | - <NumberOfMillerIndicesInRange> 2.8000e+001 </NumberOfMillerIndicesInRange> | |
| 3794 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 3795 | - <NumberOfPeaksNecessaryToResolveDominantZone> 33 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3796 | - | |
| 3797 | - <NumberOfLatticesInNeighborhood> 32 </NumberOfLatticesInNeighborhood> | |
| 3798 | - | |
| 3799 | - <EquivalentLatticeCandidates> | |
| 3800 | - <LatticeCandidate> | |
| 3801 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3802 | - <LatticeParameters> 3.9868e+000 3.7034e+001 5.7776e+000 9.0000e+001 1.0030e+002 9.0000e+001 </LatticeParameters> | |
| 3803 | - </LatticeCandidate> | |
| 3804 | - <LatticeCandidate> | |
| 3805 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3806 | - <LatticeParameters> 5.7933e+000 3.7034e+001 3.9937e+000 9.0000e+001 9.9986e+001 9.0000e+001 </LatticeParameters> | |
| 3807 | - </LatticeCandidate> | |
| 3808 | - <LatticeCandidate> | |
| 3809 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3810 | - <LatticeParameters> 6.4510e+000 3.7034e+001 3.9787e+000 9.0000e+001 1.1782e+002 9.0000e+001 </LatticeParameters> | |
| 3811 | - </LatticeCandidate> | |
| 3812 | - </EquivalentLatticeCandidates> | |
| 3813 | - | |
| 3814 | - </LatticeCandidate> | |
| 3815 | - | |
| 3816 | - <LatticeCandidate number="0106429"> | |
| 3817 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3818 | - | |
| 3819 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3820 | - <ReducedLatticeParameters> 5.4705e+000 1.2196e+001 1.6309e+001 9.0459e+001 9.2134e+001 9.6542e+001 </ReducedLatticeParameters> | |
| 3821 | - <OptimizedLatticeParameters> 5.4705e+000 1.2196e+001 1.6309e+001 9.0459e+001 9.2134e+001 9.6542e+001 </OptimizedLatticeParameters> | |
| 3822 | - | |
| 3823 | - <VolumeOfUnitCell> 1.0801e+003 </VolumeOfUnitCell> | |
| 3824 | - <FigureOfMeritWolff name="M20"> 4.0729e+000 </FigureOfMeritWolff> | |
| 3825 | - <FigureOfMeritWu name="Mwu20"> 4.2015e+000 </FigureOfMeritWu> | |
| 3826 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6116e+000 </ReversedFigureOfMeritWolff> | |
| 3827 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.5638e+000 </SymmetricFigureOfMeritWolff> | |
| 3828 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3829 | - <NumberOfMillerIndicesInRange> 5.8000e+001 </NumberOfMillerIndicesInRange> | |
| 3830 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 3831 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3832 | - | |
| 3833 | - <NumberOfLatticesInNeighborhood> 7 </NumberOfLatticesInNeighborhood> | |
| 3834 | - | |
| 3835 | - <EquivalentLatticeCandidates> | |
| 3836 | - <LatticeCandidate> | |
| 3837 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3838 | - <LatticeParameters> 2.4211e+001 5.3974e+000 2.0174e+001 9.0000e+001 1.2628e+002 9.0000e+001 </LatticeParameters> | |
| 3839 | - </LatticeCandidate> | |
| 3840 | - <LatticeCandidate> | |
| 3841 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3842 | - <LatticeParameters> 5.4311e+000 3.2527e+001 1.2181e+001 9.0000e+001 9.6421e+001 9.0000e+001 </LatticeParameters> | |
| 3843 | - </LatticeCandidate> | |
| 3844 | - <LatticeCandidate> | |
| 3845 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3846 | - <LatticeParameters> 5.4431e+000 2.4210e+001 1.6275e+001 9.0000e+001 9.2115e+001 9.0000e+001 </LatticeParameters> | |
| 3847 | - </LatticeCandidate> | |
| 3848 | - </EquivalentLatticeCandidates> | |
| 3849 | - | |
| 3850 | - </LatticeCandidate> | |
| 3851 | - | |
| 3852 | - <LatticeCandidate number="01010250"> | |
| 3853 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3854 | - | |
| 3855 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3856 | - <ReducedLatticeParameters> 4.0288e+000 9.0044e+000 1.9266e+001 7.8152e+001 8.9335e+001 8.4476e+001 </ReducedLatticeParameters> | |
| 3857 | - <OptimizedLatticeParameters> 4.0288e+000 9.0044e+000 1.9266e+001 1.0185e+002 8.9335e+001 9.5524e+001 </OptimizedLatticeParameters> | |
| 3858 | - | |
| 3859 | - <VolumeOfUnitCell> 6.8082e+002 </VolumeOfUnitCell> | |
| 3860 | - <FigureOfMeritWolff name="M20"> 4.0697e+000 </FigureOfMeritWolff> | |
| 3861 | - <FigureOfMeritWu name="Mwu20"> 3.7001e+000 </FigureOfMeritWu> | |
| 3862 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6595e+000 </ReversedFigureOfMeritWolff> | |
| 3863 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.7535e+000 </SymmetricFigureOfMeritWolff> | |
| 3864 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3865 | - <NumberOfMillerIndicesInRange> 4.6000e+001 </NumberOfMillerIndicesInRange> | |
| 3866 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 3867 | - <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3868 | - | |
| 3869 | - <NumberOfLatticesInNeighborhood> 12 </NumberOfLatticesInNeighborhood> | |
| 3870 | - | |
| 3871 | - <EquivalentLatticeCandidates> | |
| 3872 | - <LatticeCandidate> | |
| 3873 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3874 | - <LatticeParameters> 8.9991e+000 3.7747e+001 4.0309e+000 9.0000e+001 9.5611e+001 9.0000e+001 </LatticeParameters> | |
| 3875 | - </LatticeCandidate> | |
| 3876 | - </EquivalentLatticeCandidates> | |
| 3877 | - | |
| 3878 | - </LatticeCandidate> | |
| 3879 | - | |
| 3880 | - <LatticeCandidate number="01016753"> | |
| 3881 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3882 | - | |
| 3883 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3884 | - <ReducedLatticeParameters> 4.1620e+000 7.5013e+000 1.2396e+001 9.3739e+001 9.3631e+001 1.0223e+002 </ReducedLatticeParameters> | |
| 3885 | - <OptimizedLatticeParameters> 4.1620e+000 7.5013e+000 1.2396e+001 9.3739e+001 9.3631e+001 1.0223e+002 </OptimizedLatticeParameters> | |
| 3886 | - | |
| 3887 | - <VolumeOfUnitCell> 3.7624e+002 </VolumeOfUnitCell> | |
| 3888 | - <FigureOfMeritWolff name="M20"> 4.0520e+000 </FigureOfMeritWolff> | |
| 3889 | - <FigureOfMeritWu name="Mwu20"> 3.8488e+000 </FigureOfMeritWu> | |
| 3890 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.4656e+000 </ReversedFigureOfMeritWolff> | |
| 3891 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.9907e+000 </SymmetricFigureOfMeritWolff> | |
| 3892 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3893 | - <NumberOfMillerIndicesInRange> 2.8000e+001 </NumberOfMillerIndicesInRange> | |
| 3894 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 3895 | - <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3896 | - | |
| 3897 | - <NumberOfLatticesInNeighborhood> 26 </NumberOfLatticesInNeighborhood> | |
| 3898 | - | |
| 3899 | - <EquivalentLatticeCandidates> | |
| 3900 | - </EquivalentLatticeCandidates> | |
| 3901 | - | |
| 3902 | - </LatticeCandidate> | |
| 3903 | - | |
| 3904 | - <LatticeCandidate number="0106249"> | |
| 3905 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3906 | - | |
| 3907 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3908 | - <ReducedLatticeParameters> 3.7912e+000 1.0666e+001 2.7586e+001 9.6587e+001 9.3601e+001 9.4042e+001 </ReducedLatticeParameters> | |
| 3909 | - <OptimizedLatticeParameters> 3.7912e+000 1.0666e+001 2.7609e+001 8.2860e+001 8.5724e+001 8.5958e+001 </OptimizedLatticeParameters> | |
| 3910 | - | |
| 3911 | - <VolumeOfUnitCell> 1.1025e+003 </VolumeOfUnitCell> | |
| 3912 | - <FigureOfMeritWolff name="M20"> 4.0483e+000 </FigureOfMeritWolff> | |
| 3913 | - <FigureOfMeritWu name="Mwu20"> 3.4210e+000 </FigureOfMeritWu> | |
| 3914 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.3755e+000 </ReversedFigureOfMeritWolff> | |
| 3915 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.5683e+000 </SymmetricFigureOfMeritWolff> | |
| 3916 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3917 | - <NumberOfMillerIndicesInRange> 7.6000e+001 </NumberOfMillerIndicesInRange> | |
| 3918 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3919 | - <NumberOfPeaksNecessaryToResolveDominantZone> 29 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3920 | - | |
| 3921 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 3922 | - | |
| 3923 | - <EquivalentLatticeCandidates> | |
| 3924 | - </EquivalentLatticeCandidates> | |
| 3925 | - | |
| 3926 | - </LatticeCandidate> | |
| 3927 | - | |
| 3928 | - <LatticeCandidate number="01013104"> | |
| 3929 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3930 | - | |
| 3931 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3932 | - <ReducedLatticeParameters> 4.0751e+000 7.7795e+000 1.6673e+001 7.9727e+001 8.9957e+001 8.3021e+001 </ReducedLatticeParameters> | |
| 3933 | - <OptimizedLatticeParameters> 4.0751e+000 7.7795e+000 1.6673e+001 1.0027e+002 8.9957e+001 9.6979e+001 </OptimizedLatticeParameters> | |
| 3934 | - | |
| 3935 | - <VolumeOfUnitCell> 5.1612e+002 </VolumeOfUnitCell> | |
| 3936 | - <FigureOfMeritWolff name="M20"> 4.0418e+000 </FigureOfMeritWolff> | |
| 3937 | - <FigureOfMeritWu name="Mwu20"> 3.9184e+000 </FigureOfMeritWu> | |
| 3938 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.9561e+000 </ReversedFigureOfMeritWolff> | |
| 3939 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.9062e+000 </SymmetricFigureOfMeritWolff> | |
| 3940 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3941 | - <NumberOfMillerIndicesInRange> 3.8000e+001 </NumberOfMillerIndicesInRange> | |
| 3942 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 3943 | - <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3944 | - | |
| 3945 | - <NumberOfLatticesInNeighborhood> 53 </NumberOfLatticesInNeighborhood> | |
| 3946 | - | |
| 3947 | - <EquivalentLatticeCandidates> | |
| 3948 | - <LatticeCandidate> | |
| 3949 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3950 | - <LatticeParameters> 1.5461e+001 4.0326e+000 1.6670e+001 9.0000e+001 1.0051e+002 9.0000e+001 </LatticeParameters> | |
| 3951 | - </LatticeCandidate> | |
| 3952 | - <LatticeCandidate> | |
| 3953 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3954 | - <LatticeParameters> 7.7766e+000 3.2780e+001 4.0728e+000 9.0000e+001 9.6873e+001 9.0000e+001 </LatticeParameters> | |
| 3955 | - </LatticeCandidate> | |
| 3956 | - <LatticeCandidate> | |
| 3957 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3958 | - <LatticeParameters> 8.3128e+000 3.2780e+001 4.0556e+000 9.0000e+001 1.1175e+002 9.0000e+001 </LatticeParameters> | |
| 3959 | - </LatticeCandidate> | |
| 3960 | - <LatticeCandidate> | |
| 3961 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3962 | - <LatticeParameters> 4.0658e+000 3.2780e+001 7.5100e+000 9.0000e+001 9.8251e+001 9.0000e+001 </LatticeParameters> | |
| 3963 | - </LatticeCandidate> | |
| 3964 | - </EquivalentLatticeCandidates> | |
| 3965 | - | |
| 3966 | - </LatticeCandidate> | |
| 3967 | - | |
| 3968 | - <LatticeCandidate number="0104335"> | |
| 3969 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 3970 | - | |
| 3971 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 3972 | - <ReducedLatticeParameters> 7.3715e+000 1.2738e+001 1.6831e+001 8.6438e+001 7.8951e+001 7.9426e+001 </ReducedLatticeParameters> | |
| 3973 | - <OptimizedLatticeParameters> 7.3715e+000 1.2738e+001 1.6831e+001 8.6438e+001 7.8951e+001 7.9426e+001 </OptimizedLatticeParameters> | |
| 3974 | - | |
| 3975 | - <VolumeOfUnitCell> 1.5242e+003 </VolumeOfUnitCell> | |
| 3976 | - <FigureOfMeritWolff name="M20"> 4.0331e+000 </FigureOfMeritWolff> | |
| 3977 | - <FigureOfMeritWu name="Mwu20"> 4.0246e+000 </FigureOfMeritWu> | |
| 3978 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4564e+000 </ReversedFigureOfMeritWolff> | |
| 3979 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.8739e+000 </SymmetricFigureOfMeritWolff> | |
| 3980 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 3981 | - <NumberOfMillerIndicesInRange> 9.1000e+001 </NumberOfMillerIndicesInRange> | |
| 3982 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 3983 | - <NumberOfPeaksNecessaryToResolveDominantZone> 9 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 3984 | - | |
| 3985 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 3986 | - | |
| 3987 | - <EquivalentLatticeCandidates> | |
| 3988 | - <LatticeCandidate> | |
| 3989 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3990 | - <LatticeParameters> 2.5015e+001 7.3340e+000 2.0434e+001 9.0000e+001 1.2610e+002 9.0000e+001 </LatticeParameters> | |
| 3991 | - </LatticeCandidate> | |
| 3992 | - <LatticeCandidate> | |
| 3993 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 3994 | - <LatticeParameters> 7.3751e+000 3.3022e+001 1.2723e+001 9.0000e+001 1.0070e+002 9.0000e+001 </LatticeParameters> | |
| 3995 | - </LatticeCandidate> | |
| 3996 | - </EquivalentLatticeCandidates> | |
| 3997 | - | |
| 3998 | - </LatticeCandidate> | |
| 3999 | - | |
| 4000 | - <LatticeCandidate number="0105468"> | |
| 4001 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4002 | - | |
| 4003 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4004 | - <ReducedLatticeParameters> 6.2001e+000 1.1329e+001 1.7629e+001 8.8264e+001 8.9505e+001 8.6464e+001 </ReducedLatticeParameters> | |
| 4005 | - <OptimizedLatticeParameters> 6.2001e+000 1.1329e+001 1.7629e+001 8.8264e+001 8.9505e+001 8.6464e+001 </OptimizedLatticeParameters> | |
| 4006 | - | |
| 4007 | - <VolumeOfUnitCell> 1.2353e+003 </VolumeOfUnitCell> | |
| 4008 | - <FigureOfMeritWolff name="M20"> 4.0134e+000 </FigureOfMeritWolff> | |
| 4009 | - <FigureOfMeritWu name="Mwu20"> 4.2897e+000 </FigureOfMeritWu> | |
| 4010 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6994e+000 </ReversedFigureOfMeritWolff> | |
| 4011 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.8206e+000 </SymmetricFigureOfMeritWolff> | |
| 4012 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4013 | - <NumberOfMillerIndicesInRange> 6.9000e+001 </NumberOfMillerIndicesInRange> | |
| 4014 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4015 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4016 | - | |
| 4017 | - <NumberOfLatticesInNeighborhood> 4 </NumberOfLatticesInNeighborhood> | |
| 4018 | - | |
| 4019 | - <EquivalentLatticeCandidates> | |
| 4020 | - </EquivalentLatticeCandidates> | |
| 4021 | - | |
| 4022 | - </LatticeCandidate> | |
| 4023 | - | |
| 4024 | - <LatticeCandidate number="0105573"> | |
| 4025 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4026 | - | |
| 4027 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4028 | - <ReducedLatticeParameters> 4.4756e+000 1.3720e+001 2.0307e+001 7.8386e+001 8.8273e+001 8.2552e+001 </ReducedLatticeParameters> | |
| 4029 | - <OptimizedLatticeParameters> 4.4756e+000 1.3720e+001 2.0307e+001 7.8386e+001 8.8273e+001 8.2552e+001 </OptimizedLatticeParameters> | |
| 4030 | - | |
| 4031 | - <VolumeOfUnitCell> 1.2112e+003 </VolumeOfUnitCell> | |
| 4032 | - <FigureOfMeritWolff name="M20"> 4.0105e+000 </FigureOfMeritWolff> | |
| 4033 | - <FigureOfMeritWu name="Mwu20"> 4.3267e+000 </FigureOfMeritWu> | |
| 4034 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8192e+000 </ReversedFigureOfMeritWolff> | |
| 4035 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.2957e+000 </SymmetricFigureOfMeritWolff> | |
| 4036 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4037 | - <NumberOfMillerIndicesInRange> 7.5000e+001 </NumberOfMillerIndicesInRange> | |
| 4038 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 4039 | - <NumberOfPeaksNecessaryToResolveDominantZone> 19 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4040 | - | |
| 4041 | - <NumberOfLatticesInNeighborhood> 4 </NumberOfLatticesInNeighborhood> | |
| 4042 | - | |
| 4043 | - <EquivalentLatticeCandidates> | |
| 4044 | - </EquivalentLatticeCandidates> | |
| 4045 | - | |
| 4046 | - </LatticeCandidate> | |
| 4047 | - | |
| 4048 | - <LatticeCandidate number="01015747"> | |
| 4049 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4050 | - | |
| 4051 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4052 | - <ReducedLatticeParameters> 4.0549e+000 7.3222e+000 1.4350e+001 9.7471e+001 9.7464e+001 9.9880e+001 </ReducedLatticeParameters> | |
| 4053 | - <OptimizedLatticeParameters> 4.0549e+000 7.3222e+000 1.4396e+001 7.9751e+001 8.1247e+001 8.0120e+001 </OptimizedLatticeParameters> | |
| 4054 | - | |
| 4055 | - <VolumeOfUnitCell> 4.1110e+002 </VolumeOfUnitCell> | |
| 4056 | - <FigureOfMeritWolff name="M20"> 4.0049e+000 </FigureOfMeritWolff> | |
| 4057 | - <FigureOfMeritWu name="Mwu20"> 3.1774e+000 </FigureOfMeritWu> | |
| 4058 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8586e+000 </ReversedFigureOfMeritWolff> | |
| 4059 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.4433e+000 </SymmetricFigureOfMeritWolff> | |
| 4060 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4061 | - <NumberOfMillerIndicesInRange> 3.1000e+001 </NumberOfMillerIndicesInRange> | |
| 4062 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 4063 | - <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4064 | - | |
| 4065 | - <NumberOfLatticesInNeighborhood> 12 </NumberOfLatticesInNeighborhood> | |
| 4066 | - | |
| 4067 | - <EquivalentLatticeCandidates> | |
| 4068 | - </EquivalentLatticeCandidates> | |
| 4069 | - | |
| 4070 | - </LatticeCandidate> | |
| 4071 | - | |
| 4072 | - <LatticeCandidate number="0106016"> | |
| 4073 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4074 | - | |
| 4075 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4076 | - <ReducedLatticeParameters> 4.0503e+000 1.3379e+001 2.1231e+001 9.3345e+001 9.2872e+001 9.4198e+001 </ReducedLatticeParameters> | |
| 4077 | - <OptimizedLatticeParameters> 4.0503e+000 1.3379e+001 2.1231e+001 9.3345e+001 9.2872e+001 9.4198e+001 </OptimizedLatticeParameters> | |
| 4078 | - | |
| 4079 | - <VolumeOfUnitCell> 1.1438e+003 </VolumeOfUnitCell> | |
| 4080 | - <FigureOfMeritWolff name="M20"> 3.9981e+000 </FigureOfMeritWolff> | |
| 4081 | - <FigureOfMeritWu name="Mwu20"> 3.3662e+000 </FigureOfMeritWu> | |
| 4082 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4211e+000 </ReversedFigureOfMeritWolff> | |
| 4083 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.6818e+000 </SymmetricFigureOfMeritWolff> | |
| 4084 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4085 | - <NumberOfMillerIndicesInRange> 7.7000e+001 </NumberOfMillerIndicesInRange> | |
| 4086 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4087 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4088 | - | |
| 4089 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 4090 | - | |
| 4091 | - <EquivalentLatticeCandidates> | |
| 4092 | - </EquivalentLatticeCandidates> | |
| 4093 | - | |
| 4094 | - </LatticeCandidate> | |
| 4095 | - | |
| 4096 | - <LatticeCandidate number="0109179"> | |
| 4097 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4098 | - | |
| 4099 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4100 | - <ReducedLatticeParameters> 5.6573e+000 8.7008e+000 1.6642e+001 9.7250e+001 9.0805e+001 1.0881e+002 </ReducedLatticeParameters> | |
| 4101 | - <OptimizedLatticeParameters> 5.6573e+000 8.7155e+000 1.6642e+001 9.7765e+001 8.9195e+001 1.0910e+002 </OptimizedLatticeParameters> | |
| 4102 | - | |
| 4103 | - <VolumeOfUnitCell> 7.6790e+002 </VolumeOfUnitCell> | |
| 4104 | - <FigureOfMeritWolff name="M20"> 3.9903e+000 </FigureOfMeritWolff> | |
| 4105 | - <FigureOfMeritWu name="Mwu20"> 3.6679e+000 </FigureOfMeritWu> | |
| 4106 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.9123e+000 </ReversedFigureOfMeritWolff> | |
| 4107 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.6309e+000 </SymmetricFigureOfMeritWolff> | |
| 4108 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4109 | - <NumberOfMillerIndicesInRange> 3.7000e+001 </NumberOfMillerIndicesInRange> | |
| 4110 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 4111 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4112 | - | |
| 4113 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 4114 | - | |
| 4115 | - <EquivalentLatticeCandidates> | |
| 4116 | - <LatticeCandidate> | |
| 4117 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4118 | - <LatticeParameters> 1.6503e+001 5.6667e+000 1.6602e+001 9.0000e+001 9.8043e+001 9.0000e+001 </LatticeParameters> | |
| 4119 | - </LatticeCandidate> | |
| 4120 | - </EquivalentLatticeCandidates> | |
| 4121 | - | |
| 4122 | - </LatticeCandidate> | |
| 4123 | - | |
| 4124 | - <LatticeCandidate number="01016177"> | |
| 4125 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4126 | - | |
| 4127 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4128 | - <ReducedLatticeParameters> 3.9976e+000 7.5743e+000 1.3358e+001 8.3583e+001 8.2168e+001 8.4059e+001 </ReducedLatticeParameters> | |
| 4129 | - <OptimizedLatticeParameters> 3.9976e+000 7.5743e+000 1.3358e+001 8.3583e+001 8.2168e+001 8.4059e+001 </OptimizedLatticeParameters> | |
| 4130 | - | |
| 4131 | - <VolumeOfUnitCell> 3.9659e+002 </VolumeOfUnitCell> | |
| 4132 | - <FigureOfMeritWolff name="M20"> 3.9759e+000 </FigureOfMeritWolff> | |
| 4133 | - <FigureOfMeritWu name="Mwu20"> 3.1997e+000 </FigureOfMeritWu> | |
| 4134 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5956e+000 </ReversedFigureOfMeritWolff> | |
| 4135 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.3439e+000 </SymmetricFigureOfMeritWolff> | |
| 4136 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4137 | - <NumberOfMillerIndicesInRange> 2.9000e+001 </NumberOfMillerIndicesInRange> | |
| 4138 | - <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks> | |
| 4139 | - <NumberOfPeaksNecessaryToResolveDominantZone> 29 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4140 | - | |
| 4141 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 4142 | - | |
| 4143 | - <EquivalentLatticeCandidates> | |
| 4144 | - </EquivalentLatticeCandidates> | |
| 4145 | - | |
| 4146 | - </LatticeCandidate> | |
| 4147 | - | |
| 4148 | - <LatticeCandidate number="01017687"> | |
| 4149 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4150 | - | |
| 4151 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4152 | - <ReducedLatticeParameters> 4.0180e+000 8.6301e+000 1.0339e+001 8.2214e+001 7.9778e+001 8.5573e+001 </ReducedLatticeParameters> | |
| 4153 | - <OptimizedLatticeParameters> 4.0180e+000 8.6301e+000 1.0339e+001 8.2214e+001 7.9778e+001 8.5573e+001 </OptimizedLatticeParameters> | |
| 4154 | - | |
| 4155 | - <VolumeOfUnitCell> 3.4904e+002 </VolumeOfUnitCell> | |
| 4156 | - <FigureOfMeritWolff name="M20"> 3.9754e+000 </FigureOfMeritWolff> | |
| 4157 | - <FigureOfMeritWu name="Mwu20"> 3.4606e+000 </FigureOfMeritWu> | |
| 4158 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.8768e+000 </ReversedFigureOfMeritWolff> | |
| 4159 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.1437e+001 </SymmetricFigureOfMeritWolff> | |
| 4160 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4161 | - <NumberOfMillerIndicesInRange> 2.2000e+001 </NumberOfMillerIndicesInRange> | |
| 4162 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 4163 | - <NumberOfPeaksNecessaryToResolveDominantZone> 28 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4164 | - | |
| 4165 | - <NumberOfLatticesInNeighborhood> 36 </NumberOfLatticesInNeighborhood> | |
| 4166 | - | |
| 4167 | - <EquivalentLatticeCandidates> | |
| 4168 | - </EquivalentLatticeCandidates> | |
| 4169 | - | |
| 4170 | - </LatticeCandidate> | |
| 4171 | - | |
| 4172 | - <LatticeCandidate number="01014586"> | |
| 4173 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4174 | - | |
| 4175 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4176 | - <ReducedLatticeParameters> 4.3232e+000 7.6096e+000 1.4521e+001 8.1204e+001 8.4629e+001 7.5130e+001 </ReducedLatticeParameters> | |
| 4177 | - <OptimizedLatticeParameters> 4.3232e+000 7.6096e+000 1.4521e+001 8.1204e+001 8.4629e+001 7.5130e+001 </OptimizedLatticeParameters> | |
| 4178 | - | |
| 4179 | - <VolumeOfUnitCell> 4.5554e+002 </VolumeOfUnitCell> | |
| 4180 | - <FigureOfMeritWolff name="M20"> 3.9725e+000 </FigureOfMeritWolff> | |
| 4181 | - <FigureOfMeritWu name="Mwu20"> 2.9159e+000 </FigureOfMeritWu> | |
| 4182 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8763e+000 </ReversedFigureOfMeritWolff> | |
| 4183 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.4538e+000 </SymmetricFigureOfMeritWolff> | |
| 4184 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4185 | - <NumberOfMillerIndicesInRange> 3.2000e+001 </NumberOfMillerIndicesInRange> | |
| 4186 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 4187 | - <NumberOfPeaksNecessaryToResolveDominantZone> 22 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4188 | - | |
| 4189 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 4190 | - | |
| 4191 | - <EquivalentLatticeCandidates> | |
| 4192 | - </EquivalentLatticeCandidates> | |
| 4193 | - | |
| 4194 | - </LatticeCandidate> | |
| 4195 | - | |
| 4196 | - <LatticeCandidate number="01012778"> | |
| 4197 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4198 | - | |
| 4199 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4200 | - <ReducedLatticeParameters> 4.4392e+000 9.1882e+000 1.3422e+001 9.5774e+001 9.7324e+001 9.9500e+001 </ReducedLatticeParameters> | |
| 4201 | - <OptimizedLatticeParameters> 4.4392e+000 9.1882e+000 1.3422e+001 9.5774e+001 9.7324e+001 9.9500e+001 </OptimizedLatticeParameters> | |
| 4202 | - | |
| 4203 | - <VolumeOfUnitCell> 5.3139e+002 </VolumeOfUnitCell> | |
| 4204 | - <FigureOfMeritWolff name="M20"> 3.9654e+000 </FigureOfMeritWolff> | |
| 4205 | - <FigureOfMeritWu name="Mwu20"> 3.5803e+000 </FigureOfMeritWu> | |
| 4206 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.3231e+000 </ReversedFigureOfMeritWolff> | |
| 4207 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.2118e+000 </SymmetricFigureOfMeritWolff> | |
| 4208 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4209 | - <NumberOfMillerIndicesInRange> 3.4000e+001 </NumberOfMillerIndicesInRange> | |
| 4210 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 4211 | - <NumberOfPeaksNecessaryToResolveDominantZone> 21 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4212 | - | |
| 4213 | - <NumberOfLatticesInNeighborhood> 19 </NumberOfLatticesInNeighborhood> | |
| 4214 | - | |
| 4215 | - <EquivalentLatticeCandidates> | |
| 4216 | - </EquivalentLatticeCandidates> | |
| 4217 | - | |
| 4218 | - </LatticeCandidate> | |
| 4219 | - | |
| 4220 | - <LatticeCandidate number="0107158"> | |
| 4221 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4222 | - | |
| 4223 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4224 | - <ReducedLatticeParameters> 5.8458e+000 8.8016e+000 1.9926e+001 8.6525e+001 8.1578e+001 7.3483e+001 </ReducedLatticeParameters> | |
| 4225 | - <OptimizedLatticeParameters> 5.8458e+000 8.8016e+000 1.9926e+001 8.6525e+001 8.1578e+001 7.3483e+001 </OptimizedLatticeParameters> | |
| 4226 | - | |
| 4227 | - <VolumeOfUnitCell> 9.7215e+002 </VolumeOfUnitCell> | |
| 4228 | - <FigureOfMeritWolff name="M20"> 3.9522e+000 </FigureOfMeritWolff> | |
| 4229 | - <FigureOfMeritWu name="Mwu20"> 3.6151e+000 </FigureOfMeritWu> | |
| 4230 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0014e+000 </ReversedFigureOfMeritWolff> | |
| 4231 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.9099e+000 </SymmetricFigureOfMeritWolff> | |
| 4232 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4233 | - <NumberOfMillerIndicesInRange> 5.0000e+001 </NumberOfMillerIndicesInRange> | |
| 4234 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4235 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4236 | - | |
| 4237 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 4238 | - | |
| 4239 | - <EquivalentLatticeCandidates> | |
| 4240 | - <LatticeCandidate> | |
| 4241 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 4242 | - <LatticeParameters> 5.8557e+000 1.6856e+001 3.9400e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 4243 | - </LatticeCandidate> | |
| 4244 | - <LatticeCandidate> | |
| 4245 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4246 | - <LatticeParameters> 1.6861e+001 5.8557e+000 2.1250e+001 9.0000e+001 1.1202e+002 9.0000e+001 </LatticeParameters> | |
| 4247 | - </LatticeCandidate> | |
| 4248 | - <LatticeCandidate> | |
| 4249 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4250 | - <LatticeParameters> 5.8629e+000 3.9400e+001 8.7944e+000 9.0000e+001 1.0660e+002 9.0000e+001 </LatticeParameters> | |
| 4251 | - </LatticeCandidate> | |
| 4252 | - </EquivalentLatticeCandidates> | |
| 4253 | - | |
| 4254 | - </LatticeCandidate> | |
| 4255 | - | |
| 4256 | - <LatticeCandidate number="0105489"> | |
| 4257 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4258 | - | |
| 4259 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4260 | - <ReducedLatticeParameters> 4.1968e+000 1.2174e+001 2.4222e+001 9.5567e+001 9.2268e+001 9.0701e+001 </ReducedLatticeParameters> | |
| 4261 | - <OptimizedLatticeParameters> 4.1968e+000 1.2174e+001 2.4222e+001 9.5567e+001 9.2268e+001 9.0701e+001 </OptimizedLatticeParameters> | |
| 4262 | - | |
| 4263 | - <VolumeOfUnitCell> 1.2306e+003 </VolumeOfUnitCell> | |
| 4264 | - <FigureOfMeritWolff name="M20"> 3.9486e+000 </FigureOfMeritWolff> | |
| 4265 | - <FigureOfMeritWu name="Mwu20"> 3.4902e+000 </FigureOfMeritWu> | |
| 4266 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.7811e+000 </ReversedFigureOfMeritWolff> | |
| 4267 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.0326e+000 </SymmetricFigureOfMeritWolff> | |
| 4268 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4269 | - <NumberOfMillerIndicesInRange> 8.6000e+001 </NumberOfMillerIndicesInRange> | |
| 4270 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4271 | - <NumberOfPeaksNecessaryToResolveDominantZone> 24 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4272 | - | |
| 4273 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 4274 | - | |
| 4275 | - <EquivalentLatticeCandidates> | |
| 4276 | - <LatticeCandidate> | |
| 4277 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4278 | - <LatticeParameters> 2.4353e+001 4.1384e+000 2.6088e+001 9.0000e+001 1.1230e+002 9.0000e+001 </LatticeParameters> | |
| 4279 | - </LatticeCandidate> | |
| 4280 | - <LatticeCandidate> | |
| 4281 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4282 | - <LatticeParameters> 1.2658e+001 4.8275e+001 4.1941e+000 9.0000e+001 1.0816e+002 9.0000e+001 </LatticeParameters> | |
| 4283 | - </LatticeCandidate> | |
| 4284 | - <LatticeCandidate> | |
| 4285 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4286 | - <LatticeParameters> 1.2034e+001 4.8275e+001 4.1635e+000 9.0000e+001 9.1948e+001 9.0000e+001 </LatticeParameters> | |
| 4287 | - </LatticeCandidate> | |
| 4288 | - <LatticeCandidate> | |
| 4289 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4290 | - <LatticeParameters> 4.1934e+000 4.8275e+001 1.2123e+001 9.0000e+001 9.0538e+001 9.0000e+001 </LatticeParameters> | |
| 4291 | - </LatticeCandidate> | |
| 4292 | - </EquivalentLatticeCandidates> | |
| 4293 | - | |
| 4294 | - </LatticeCandidate> | |
| 4295 | - | |
| 4296 | - <LatticeCandidate number="0108543"> | |
| 4297 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4298 | - | |
| 4299 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4300 | - <ReducedLatticeParameters> 4.0757e+000 1.0510e+001 1.9685e+001 7.8128e+001 8.7710e+001 8.3162e+001 </ReducedLatticeParameters> | |
| 4301 | - <OptimizedLatticeParameters> 4.0757e+000 1.0510e+001 1.9685e+001 7.8128e+001 8.7710e+001 8.3162e+001 </OptimizedLatticeParameters> | |
| 4302 | - | |
| 4303 | - <VolumeOfUnitCell> 8.1925e+002 </VolumeOfUnitCell> | |
| 4304 | - <FigureOfMeritWolff name="M20"> 3.9425e+000 </FigureOfMeritWolff> | |
| 4305 | - <FigureOfMeritWu name="Mwu20"> 3.2917e+000 </FigureOfMeritWu> | |
| 4306 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8847e+000 </ReversedFigureOfMeritWolff> | |
| 4307 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.4302e+000 </SymmetricFigureOfMeritWolff> | |
| 4308 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4309 | - <NumberOfMillerIndicesInRange> 5.6000e+001 </NumberOfMillerIndicesInRange> | |
| 4310 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4311 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4312 | - | |
| 4313 | - <NumberOfLatticesInNeighborhood> 16 </NumberOfLatticesInNeighborhood> | |
| 4314 | - | |
| 4315 | - <EquivalentLatticeCandidates> | |
| 4316 | - </EquivalentLatticeCandidates> | |
| 4317 | - | |
| 4318 | - </LatticeCandidate> | |
| 4319 | - | |
| 4320 | - <LatticeCandidate number="0103466"> | |
| 4321 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4322 | - | |
| 4323 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4324 | - <ReducedLatticeParameters> 7.5301e+000 1.2726e+001 2.0818e+001 8.2306e+001 8.0312e+001 7.7176e+001 </ReducedLatticeParameters> | |
| 4325 | - <OptimizedLatticeParameters> 7.5301e+000 1.2726e+001 2.0818e+001 8.2306e+001 8.0312e+001 7.7176e+001 </OptimizedLatticeParameters> | |
| 4326 | - | |
| 4327 | - <VolumeOfUnitCell> 1.9077e+003 </VolumeOfUnitCell> | |
| 4328 | - <FigureOfMeritWolff name="M20"> 3.9377e+000 </FigureOfMeritWolff> | |
| 4329 | - <FigureOfMeritWu name="Mwu20"> 3.4994e+000 </FigureOfMeritWu> | |
| 4330 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.3362e+000 </ReversedFigureOfMeritWolff> | |
| 4331 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.2614e+000 </SymmetricFigureOfMeritWolff> | |
| 4332 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4333 | - <NumberOfMillerIndicesInRange> 1.1500e+002 </NumberOfMillerIndicesInRange> | |
| 4334 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4335 | - <NumberOfPeaksNecessaryToResolveDominantZone> 7 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4336 | - | |
| 4337 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 4338 | - | |
| 4339 | - <EquivalentLatticeCandidates> | |
| 4340 | - <LatticeCandidate> | |
| 4341 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4342 | - <LatticeParameters> 2.4828e+001 7.5050e+000 2.2898e+001 9.0000e+001 1.1686e+002 9.0000e+001 </LatticeParameters> | |
| 4343 | - </LatticeCandidate> | |
| 4344 | - </EquivalentLatticeCandidates> | |
| 4345 | - | |
| 4346 | - </LatticeCandidate> | |
| 4347 | - | |
| 4348 | - <LatticeCandidate number="01014507"> | |
| 4349 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4350 | - | |
| 4351 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4352 | - <ReducedLatticeParameters> 4.0061e+000 5.6543e+000 2.0439e+001 9.2438e+001 9.2644e+001 9.6005e+001 </ReducedLatticeParameters> | |
| 4353 | - <OptimizedLatticeParameters> 4.0061e+000 5.6543e+000 2.0439e+001 9.2438e+001 9.2644e+001 9.6005e+001 </OptimizedLatticeParameters> | |
| 4354 | - | |
| 4355 | - <VolumeOfUnitCell> 4.5943e+002 </VolumeOfUnitCell> | |
| 4356 | - <FigureOfMeritWolff name="M20"> 3.9258e+000 </FigureOfMeritWolff> | |
| 4357 | - <FigureOfMeritWu name="Mwu20"> 3.8794e+000 </FigureOfMeritWu> | |
| 4358 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.8019e+000 </ReversedFigureOfMeritWolff> | |
| 4359 | - <SymmetricFigureOfMeritWolff name="Msym20"> 1.1000e+001 </SymmetricFigureOfMeritWolff> | |
| 4360 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4361 | - <NumberOfMillerIndicesInRange> 3.1000e+001 </NumberOfMillerIndicesInRange> | |
| 4362 | - <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks> | |
| 4363 | - <NumberOfPeaksNecessaryToResolveDominantZone> 35 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4364 | - | |
| 4365 | - <NumberOfLatticesInNeighborhood> 27 </NumberOfLatticesInNeighborhood> | |
| 4366 | - | |
| 4367 | - <EquivalentLatticeCandidates> | |
| 4368 | - <LatticeCandidate> | |
| 4369 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4370 | - <LatticeParameters> 4.0026e+000 4.0671e+001 5.6590e+000 9.0000e+001 9.5831e+001 9.0000e+001 </LatticeParameters> | |
| 4371 | - </LatticeCandidate> | |
| 4372 | - </EquivalentLatticeCandidates> | |
| 4373 | - | |
| 4374 | - </LatticeCandidate> | |
| 4375 | - | |
| 4376 | - <LatticeCandidate number="0104446"> | |
| 4377 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4378 | - | |
| 4379 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4380 | - <ReducedLatticeParameters> 6.4753e+000 1.1989e+001 1.9624e+001 8.9621e+001 8.6178e+001 7.7357e+001 </ReducedLatticeParameters> | |
| 4381 | - <OptimizedLatticeParameters> 6.4753e+000 1.1989e+001 1.9624e+001 8.9621e+001 9.3822e+001 1.0264e+002 </OptimizedLatticeParameters> | |
| 4382 | - | |
| 4383 | - <VolumeOfUnitCell> 1.4832e+003 </VolumeOfUnitCell> | |
| 4384 | - <FigureOfMeritWolff name="M20"> 3.9205e+000 </FigureOfMeritWolff> | |
| 4385 | - <FigureOfMeritWu name="Mwu20"> 3.7180e+000 </FigureOfMeritWu> | |
| 4386 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4902e+000 </ReversedFigureOfMeritWolff> | |
| 4387 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.8422e+000 </SymmetricFigureOfMeritWolff> | |
| 4388 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4389 | - <NumberOfMillerIndicesInRange> 8.8000e+001 </NumberOfMillerIndicesInRange> | |
| 4390 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4391 | - <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4392 | - | |
| 4393 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 4394 | - | |
| 4395 | - <EquivalentLatticeCandidates> | |
| 4396 | - <LatticeCandidate> | |
| 4397 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 4398 | - <LatticeParameters> 6.4292e+000 2.3422e+001 3.9179e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 4399 | - </LatticeCandidate> | |
| 4400 | - <LatticeCandidate> | |
| 4401 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4402 | - <LatticeParameters> 2.3422e+001 6.4292e+000 2.2745e+001 9.0000e+001 1.2054e+002 9.0000e+001 </LatticeParameters> | |
| 4403 | - </LatticeCandidate> | |
| 4404 | - <LatticeCandidate> | |
| 4405 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4406 | - <LatticeParameters> 6.4605e+000 2.3422e+001 1.9632e+001 9.0000e+001 9.3781e+001 9.0000e+001 </LatticeParameters> | |
| 4407 | - </LatticeCandidate> | |
| 4408 | - <LatticeCandidate> | |
| 4409 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4410 | - <LatticeParameters> 6.4386e+000 3.9179e+001 1.1993e+001 9.0000e+001 1.0245e+002 9.0000e+001 </LatticeParameters> | |
| 4411 | - </LatticeCandidate> | |
| 4412 | - </EquivalentLatticeCandidates> | |
| 4413 | - | |
| 4414 | - </LatticeCandidate> | |
| 4415 | - | |
| 4416 | - <LatticeCandidate number="01013792"> | |
| 4417 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4418 | - | |
| 4419 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4420 | - <ReducedLatticeParameters> 5.3887e+000 5.8474e+000 1.6930e+001 9.0738e+001 9.5453e+001 1.1319e+002 </ReducedLatticeParameters> | |
| 4421 | - <OptimizedLatticeParameters> 5.3887e+000 5.8474e+000 1.6930e+001 9.0738e+001 9.5453e+001 1.1319e+002 </OptimizedLatticeParameters> | |
| 4422 | - | |
| 4423 | - <VolumeOfUnitCell> 4.8743e+002 </VolumeOfUnitCell> | |
| 4424 | - <FigureOfMeritWolff name="M20"> 3.9148e+000 </FigureOfMeritWolff> | |
| 4425 | - <FigureOfMeritWu name="Mwu20"> 3.5465e+000 </FigureOfMeritWu> | |
| 4426 | - <ReversedFigureOfMeritWolff name="Mrev20"> 6.1392e+000 </ReversedFigureOfMeritWolff> | |
| 4427 | - <SymmetricFigureOfMeritWolff name="Msym20"> 2.4033e+001 </SymmetricFigureOfMeritWolff> | |
| 4428 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4429 | - <NumberOfMillerIndicesInRange> 2.0000e+001 </NumberOfMillerIndicesInRange> | |
| 4430 | - <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks> | |
| 4431 | - <NumberOfPeaksNecessaryToResolveDominantZone> 16 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4432 | - | |
| 4433 | - <NumberOfLatticesInNeighborhood> 26 </NumberOfLatticesInNeighborhood> | |
| 4434 | - | |
| 4435 | - <EquivalentLatticeCandidates> | |
| 4436 | - <LatticeCandidate> | |
| 4437 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4438 | - <LatticeParameters> 5.3776e+000 3.3657e+001 5.8306e+000 9.0000e+001 1.1301e+002 9.0000e+001 </LatticeParameters> | |
| 4439 | - </LatticeCandidate> | |
| 4440 | - <LatticeCandidate> | |
| 4441 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4442 | - <LatticeParameters> 1.0750e+001 5.3620e+000 1.7406e+001 9.0000e+001 1.0481e+002 9.0000e+001 </LatticeParameters> | |
| 4443 | - </LatticeCandidate> | |
| 4444 | - <LatticeCandidate> | |
| 4445 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4446 | - <LatticeParameters> 5.8440e+000 3.3657e+001 5.3249e+000 9.0000e+001 1.1383e+002 9.0000e+001 </LatticeParameters> | |
| 4447 | - </LatticeCandidate> | |
| 4448 | - <LatticeCandidate> | |
| 4449 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4450 | - <LatticeParameters> 6.1738e+000 3.3657e+001 5.3887e+000 9.0000e+001 1.2002e+002 9.0000e+001 </LatticeParameters> | |
| 4451 | - </LatticeCandidate> | |
| 4452 | - </EquivalentLatticeCandidates> | |
| 4453 | - | |
| 4454 | - </LatticeCandidate> | |
| 4455 | - | |
| 4456 | - <LatticeCandidate number="0103241"> | |
| 4457 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4458 | - | |
| 4459 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4460 | - <ReducedLatticeParameters> 4.8439e+000 2.0155e+001 2.2724e+001 6.8626e+001 8.4252e+001 8.5448e+001 </ReducedLatticeParameters> | |
| 4461 | - <OptimizedLatticeParameters> 4.8439e+000 2.0155e+001 2.2724e+001 6.8626e+001 8.4252e+001 8.5448e+001 </OptimizedLatticeParameters> | |
| 4462 | - | |
| 4463 | - <VolumeOfUnitCell> 2.0533e+003 </VolumeOfUnitCell> | |
| 4464 | - <FigureOfMeritWolff name="M20"> 3.9130e+000 </FigureOfMeritWolff> | |
| 4465 | - <FigureOfMeritWu name="Mwu20"> 3.3363e+000 </FigureOfMeritWu> | |
| 4466 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.2977e+000 </ReversedFigureOfMeritWolff> | |
| 4467 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.0779e+000 </SymmetricFigureOfMeritWolff> | |
| 4468 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4469 | - <NumberOfMillerIndicesInRange> 1.1600e+002 </NumberOfMillerIndicesInRange> | |
| 4470 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4471 | - <NumberOfPeaksNecessaryToResolveDominantZone> 15 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4472 | - | |
| 4473 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 4474 | - | |
| 4475 | - <EquivalentLatticeCandidates> | |
| 4476 | - <LatticeCandidate> | |
| 4477 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 4478 | - <LatticeParameters> 3.6325e+001 3.6325e+001 4.8359e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 4479 | - </LatticeCandidate> | |
| 4480 | - <LatticeCandidate> | |
| 4481 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 4482 | - <LatticeParameters> 3.6325e+001 3.6325e+001 4.8160e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 4483 | - </LatticeCandidate> | |
| 4484 | - <LatticeCandidate> | |
| 4485 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4486 | - <LatticeParameters> 4.0180e+001 4.8367e+000 2.4262e+001 9.0000e+001 1.1956e+002 9.0000e+001 </LatticeParameters> | |
| 4487 | - </LatticeCandidate> | |
| 4488 | - <LatticeCandidate> | |
| 4489 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4490 | - <LatticeParameters> 2.0080e+001 4.2207e+001 4.8295e+000 9.0000e+001 9.4904e+001 9.0000e+001 </LatticeParameters> | |
| 4491 | - </LatticeCandidate> | |
| 4492 | - <LatticeCandidate> | |
| 4493 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4494 | - <LatticeParameters> 2.0281e+001 4.2207e+001 4.8360e+000 9.0000e+001 9.9437e+001 9.0000e+001 </LatticeParameters> | |
| 4495 | - </LatticeCandidate> | |
| 4496 | - </EquivalentLatticeCandidates> | |
| 4497 | - | |
| 4498 | - </LatticeCandidate> | |
| 4499 | - | |
| 4500 | - <LatticeCandidate number="0106879"> | |
| 4501 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4502 | - | |
| 4503 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4504 | - <ReducedLatticeParameters> 4.6880e+000 1.4076e+001 1.6382e+001 1.0907e+002 9.5722e+001 9.3090e+001 </ReducedLatticeParameters> | |
| 4505 | - <OptimizedLatticeParameters> 4.6880e+000 1.4076e+001 1.6382e+001 1.0907e+002 9.5722e+001 9.3090e+001 </OptimizedLatticeParameters> | |
| 4506 | - | |
| 4507 | - <VolumeOfUnitCell> 1.0122e+003 </VolumeOfUnitCell> | |
| 4508 | - <FigureOfMeritWolff name="M20"> 3.9072e+000 </FigureOfMeritWolff> | |
| 4509 | - <FigureOfMeritWu name="Mwu20"> 3.2866e+000 </FigureOfMeritWu> | |
| 4510 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8052e+000 </ReversedFigureOfMeritWolff> | |
| 4511 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.0533e+000 </SymmetricFigureOfMeritWolff> | |
| 4512 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4513 | - <NumberOfMillerIndicesInRange> 6.1000e+001 </NumberOfMillerIndicesInRange> | |
| 4514 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4515 | - <NumberOfPeaksNecessaryToResolveDominantZone> 18 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4516 | - | |
| 4517 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 4518 | - | |
| 4519 | - <EquivalentLatticeCandidates> | |
| 4520 | - </EquivalentLatticeCandidates> | |
| 4521 | - | |
| 4522 | - </LatticeCandidate> | |
| 4523 | - | |
| 4524 | - <LatticeCandidate number="0104979"> | |
| 4525 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4526 | - | |
| 4527 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4528 | - <ReducedLatticeParameters> 4.8210e+000 1.0231e+001 2.7496e+001 8.5177e+001 8.6960e+001 8.0714e+001 </ReducedLatticeParameters> | |
| 4529 | - <OptimizedLatticeParameters> 4.8210e+000 1.0231e+001 2.7496e+001 8.5177e+001 8.6960e+001 8.0714e+001 </OptimizedLatticeParameters> | |
| 4530 | - | |
| 4531 | - <VolumeOfUnitCell> 1.3326e+003 </VolumeOfUnitCell> | |
| 4532 | - <FigureOfMeritWolff name="M20"> 3.9054e+000 </FigureOfMeritWolff> | |
| 4533 | - <FigureOfMeritWu name="Mwu20"> 3.3457e+000 </FigureOfMeritWu> | |
| 4534 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.7135e+000 </ReversedFigureOfMeritWolff> | |
| 4535 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.6920e+000 </SymmetricFigureOfMeritWolff> | |
| 4536 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4537 | - <NumberOfMillerIndicesInRange> 7.9000e+001 </NumberOfMillerIndicesInRange> | |
| 4538 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4539 | - <NumberOfPeaksNecessaryToResolveDominantZone> 16 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4540 | - | |
| 4541 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 4542 | - | |
| 4543 | - <EquivalentLatticeCandidates> | |
| 4544 | - <LatticeCandidate> | |
| 4545 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 4546 | - <LatticeParameters> 2.1125e+001 2.1125e+001 4.7606e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 4547 | - </LatticeCandidate> | |
| 4548 | - <LatticeCandidate> | |
| 4549 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 4550 | - <LatticeParameters> 2.1125e+001 2.1125e+001 4.8076e+000 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 4551 | - </LatticeCandidate> | |
| 4552 | - <LatticeCandidate> | |
| 4553 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 4554 | - <LatticeParameters> 7.5511e+000 9.4986e+000 5.4668e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 4555 | - </LatticeCandidate> | |
| 4556 | - <LatticeCandidate> | |
| 4557 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 4558 | - <LatticeParameters> 7.5511e+000 9.2922e+000 9.4261e+000 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 4559 | - </LatticeCandidate> | |
| 4560 | - <LatticeCandidate> | |
| 4561 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4562 | - <LatticeParameters> 2.0201e+001 4.8019e+000 2.8486e+001 9.0000e+001 1.0635e+002 9.0000e+001 </LatticeParameters> | |
| 4563 | - </LatticeCandidate> | |
| 4564 | - <LatticeCandidate> | |
| 4565 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4566 | - <LatticeParameters> 1.0546e+001 5.4668e+001 4.8076e+000 9.0000e+001 1.0780e+002 9.0000e+001 </LatticeParameters> | |
| 4567 | - </LatticeCandidate> | |
| 4568 | - <LatticeCandidate> | |
| 4569 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4570 | - <LatticeParameters> 1.0181e+001 5.4668e+001 4.8154e+000 9.0000e+001 9.9507e+001 9.0000e+001 </LatticeParameters> | |
| 4571 | - </LatticeCandidate> | |
| 4572 | - <LatticeCandidate> | |
| 4573 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4574 | - <LatticeParameters> 4.8036e+000 2.0143e+001 2.7385e+001 9.0000e+001 9.3491e+001 9.0000e+001 </LatticeParameters> | |
| 4575 | - </LatticeCandidate> | |
| 4576 | - <LatticeCandidate> | |
| 4577 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4578 | - <LatticeParameters> 4.8144e+000 5.4668e+001 1.0210e+001 9.0000e+001 9.9464e+001 9.0000e+001 </LatticeParameters> | |
| 4579 | - </LatticeCandidate> | |
| 4580 | - </EquivalentLatticeCandidates> | |
| 4581 | - | |
| 4582 | - </LatticeCandidate> | |
| 4583 | - | |
| 4584 | - <LatticeCandidate number="0103924"> | |
| 4585 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4586 | - | |
| 4587 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4588 | - <ReducedLatticeParameters> 3.9633e+000 2.0651e+001 2.2691e+001 6.6523e+001 8.6266e+001 8.7779e+001 </ReducedLatticeParameters> | |
| 4589 | - <OptimizedLatticeParameters> 3.9633e+000 2.0651e+001 2.2691e+001 6.6523e+001 8.6266e+001 8.7779e+001 </OptimizedLatticeParameters> | |
| 4590 | - | |
| 4591 | - <VolumeOfUnitCell> 1.6997e+003 </VolumeOfUnitCell> | |
| 4592 | - <FigureOfMeritWolff name="M20"> 3.9037e+000 </FigureOfMeritWolff> | |
| 4593 | - <FigureOfMeritWu name="Mwu20"> 3.5196e+000 </FigureOfMeritWu> | |
| 4594 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4526e+000 </ReversedFigureOfMeritWolff> | |
| 4595 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.6706e+000 </SymmetricFigureOfMeritWolff> | |
| 4596 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4597 | - <NumberOfMillerIndicesInRange> 1.1800e+002 </NumberOfMillerIndicesInRange> | |
| 4598 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4599 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4600 | - | |
| 4601 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 4602 | - | |
| 4603 | - <EquivalentLatticeCandidates> | |
| 4604 | - <LatticeCandidate> | |
| 4605 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4606 | - <LatticeParameters> 4.1233e+001 3.9586e+000 2.3829e+001 9.0000e+001 1.1928e+002 9.0000e+001 </LatticeParameters> | |
| 4607 | - </LatticeCandidate> | |
| 4608 | - </EquivalentLatticeCandidates> | |
| 4609 | - | |
| 4610 | - </LatticeCandidate> | |
| 4611 | - | |
| 4612 | - <LatticeCandidate number="0109207"> | |
| 4613 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4614 | - | |
| 4615 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4616 | - <ReducedLatticeParameters> 4.8878e+000 1.2526e+001 1.3443e+001 6.9769e+001 8.2448e+001 8.7185e+001 </ReducedLatticeParameters> | |
| 4617 | - <OptimizedLatticeParameters> 4.8878e+000 1.2526e+001 1.3443e+001 6.9769e+001 8.2448e+001 8.7185e+001 </OptimizedLatticeParameters> | |
| 4618 | - | |
| 4619 | - <VolumeOfUnitCell> 7.6555e+002 </VolumeOfUnitCell> | |
| 4620 | - <FigureOfMeritWolff name="M20"> 3.9019e+000 </FigureOfMeritWolff> | |
| 4621 | - <FigureOfMeritWu name="Mwu20"> 3.2880e+000 </FigureOfMeritWu> | |
| 4622 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.7383e+000 </ReversedFigureOfMeritWolff> | |
| 4623 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.7827e+000 </SymmetricFigureOfMeritWolff> | |
| 4624 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4625 | - <NumberOfMillerIndicesInRange> 4.6000e+001 </NumberOfMillerIndicesInRange> | |
| 4626 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 4627 | - <NumberOfPeaksNecessaryToResolveDominantZone> 18 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4628 | - | |
| 4629 | - <NumberOfLatticesInNeighborhood> 9 </NumberOfLatticesInNeighborhood> | |
| 4630 | - | |
| 4631 | - <EquivalentLatticeCandidates> | |
| 4632 | - <LatticeCandidate> | |
| 4633 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4634 | - <LatticeParameters> 2.5036e+001 4.8392e+000 1.4800e+001 9.0000e+001 1.2244e+002 9.0000e+001 </LatticeParameters> | |
| 4635 | - </LatticeCandidate> | |
| 4636 | - </EquivalentLatticeCandidates> | |
| 4637 | - | |
| 4638 | - </LatticeCandidate> | |
| 4639 | - | |
| 4640 | - <LatticeCandidate number="0105969"> | |
| 4641 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4642 | - | |
| 4643 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4644 | - <ReducedLatticeParameters> 5.1237e+000 1.2303e+001 1.8919e+001 1.0325e+002 9.0457e+001 9.6846e+001 </ReducedLatticeParameters> | |
| 4645 | - <OptimizedLatticeParameters> 5.1237e+000 1.2303e+001 1.8919e+001 1.0325e+002 9.0457e+001 9.6846e+001 </OptimizedLatticeParameters> | |
| 4646 | - | |
| 4647 | - <VolumeOfUnitCell> 1.1519e+003 </VolumeOfUnitCell> | |
| 4648 | - <FigureOfMeritWolff name="M20"> 3.8903e+000 </FigureOfMeritWolff> | |
| 4649 | - <FigureOfMeritWu name="Mwu20"> 3.3943e+000 </FigureOfMeritWu> | |
| 4650 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.3920e+000 </ReversedFigureOfMeritWolff> | |
| 4651 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.4152e+000 </SymmetricFigureOfMeritWolff> | |
| 4652 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4653 | - <NumberOfMillerIndicesInRange> 6.3000e+001 </NumberOfMillerIndicesInRange> | |
| 4654 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4655 | - <NumberOfPeaksNecessaryToResolveDominantZone> 14 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4656 | - | |
| 4657 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 4658 | - | |
| 4659 | - <EquivalentLatticeCandidates> | |
| 4660 | - <LatticeCandidate> | |
| 4661 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4662 | - <LatticeParameters> 2.4420e+001 5.1144e+000 1.8880e+001 9.0000e+001 1.0342e+002 9.0000e+001 </LatticeParameters> | |
| 4663 | - </LatticeCandidate> | |
| 4664 | - <LatticeCandidate> | |
| 4665 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4666 | - <LatticeParameters> 1.2241e+001 3.6729e+001 5.1293e+000 9.0000e+001 9.6737e+001 9.0000e+001 </LatticeParameters> | |
| 4667 | - </LatticeCandidate> | |
| 4668 | - <LatticeCandidate> | |
| 4669 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4670 | - <LatticeParameters> 1.2657e+001 3.6729e+001 5.1128e+000 9.0000e+001 1.0616e+002 9.0000e+001 </LatticeParameters> | |
| 4671 | - </LatticeCandidate> | |
| 4672 | - </EquivalentLatticeCandidates> | |
| 4673 | - | |
| 4674 | - </LatticeCandidate> | |
| 4675 | - | |
| 4676 | - <LatticeCandidate number="01014416"> | |
| 4677 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4678 | - | |
| 4679 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4680 | - <ReducedLatticeParameters> 4.1317e+000 6.1222e+000 1.8860e+001 9.1850e+001 9.0141e+001 1.0381e+002 </ReducedLatticeParameters> | |
| 4681 | - <OptimizedLatticeParameters> 4.1317e+000 6.1222e+000 1.8860e+001 9.1850e+001 9.0141e+001 1.0381e+002 </OptimizedLatticeParameters> | |
| 4682 | - | |
| 4683 | - <VolumeOfUnitCell> 4.6302e+002 </VolumeOfUnitCell> | |
| 4684 | - <FigureOfMeritWolff name="M20"> 3.8805e+000 </FigureOfMeritWolff> | |
| 4685 | - <FigureOfMeritWu name="Mwu20"> 3.6211e+000 </FigureOfMeritWu> | |
| 4686 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.2500e+000 </ReversedFigureOfMeritWolff> | |
| 4687 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.7312e+000 </SymmetricFigureOfMeritWolff> | |
| 4688 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4689 | - <NumberOfMillerIndicesInRange> 3.2000e+001 </NumberOfMillerIndicesInRange> | |
| 4690 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 4691 | - <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4692 | - | |
| 4693 | - <NumberOfLatticesInNeighborhood> 29 </NumberOfLatticesInNeighborhood> | |
| 4694 | - | |
| 4695 | - <EquivalentLatticeCandidates> | |
| 4696 | - <LatticeCandidate> | |
| 4697 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4698 | - <LatticeParameters> 4.1306e+000 3.7686e+001 5.9250e+000 9.0000e+001 1.0497e+002 9.0000e+001 </LatticeParameters> | |
| 4699 | - </LatticeCandidate> | |
| 4700 | - <LatticeCandidate> | |
| 4701 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4702 | - <LatticeParameters> 6.4445e+000 3.7686e+001 4.1224e+000 9.0000e+001 1.1372e+002 9.0000e+001 </LatticeParameters> | |
| 4703 | - </LatticeCandidate> | |
| 4704 | - <LatticeCandidate> | |
| 4705 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4706 | - <LatticeParameters> 6.0765e+000 3.7686e+001 4.1293e+000 9.0000e+001 1.0384e+002 9.0000e+001 </LatticeParameters> | |
| 4707 | - </LatticeCandidate> | |
| 4708 | - </EquivalentLatticeCandidates> | |
| 4709 | - | |
| 4710 | - </LatticeCandidate> | |
| 4711 | - | |
| 4712 | - <LatticeCandidate number="0106606"> | |
| 4713 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4714 | - | |
| 4715 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4716 | - <ReducedLatticeParameters> 5.0748e+000 1.0826e+001 1.9862e+001 9.4886e+001 9.4232e+001 1.0245e+002 </ReducedLatticeParameters> | |
| 4717 | - <OptimizedLatticeParameters> 5.0748e+000 1.0826e+001 1.9862e+001 9.4886e+001 9.4232e+001 1.0245e+002 </OptimizedLatticeParameters> | |
| 4718 | - | |
| 4719 | - <VolumeOfUnitCell> 1.0569e+003 </VolumeOfUnitCell> | |
| 4720 | - <FigureOfMeritWolff name="M20"> 3.8735e+000 </FigureOfMeritWolff> | |
| 4721 | - <FigureOfMeritWu name="Mwu20"> 3.3515e+000 </FigureOfMeritWu> | |
| 4722 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4307e+000 </ReversedFigureOfMeritWolff> | |
| 4723 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.5416e+000 </SymmetricFigureOfMeritWolff> | |
| 4724 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4725 | - <NumberOfMillerIndicesInRange> 5.8000e+001 </NumberOfMillerIndicesInRange> | |
| 4726 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4727 | - <NumberOfPeaksNecessaryToResolveDominantZone> 14 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4728 | - | |
| 4729 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 4730 | - | |
| 4731 | - <EquivalentLatticeCandidates> | |
| 4732 | - <LatticeCandidate> | |
| 4733 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4734 | - <LatticeParameters> 2.1121e+001 5.0706e+000 2.1439e+001 9.0000e+001 1.1323e+002 9.0000e+001 </LatticeParameters> | |
| 4735 | - </LatticeCandidate> | |
| 4736 | - </EquivalentLatticeCandidates> | |
| 4737 | - | |
| 4738 | - </LatticeCandidate> | |
| 4739 | - | |
| 4740 | - <LatticeCandidate number="0104915"> | |
| 4741 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4742 | - | |
| 4743 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4744 | - <ReducedLatticeParameters> 4.6289e+000 1.3853e+001 2.1409e+001 9.7014e+001 9.5858e+001 9.5073e+001 </ReducedLatticeParameters> | |
| 4745 | - <OptimizedLatticeParameters> 4.6289e+000 1.3853e+001 2.1437e+001 8.1891e+001 8.3453e+001 8.4927e+001 </OptimizedLatticeParameters> | |
| 4746 | - | |
| 4747 | - <VolumeOfUnitCell> 1.3484e+003 </VolumeOfUnitCell> | |
| 4748 | - <FigureOfMeritWolff name="M20"> 3.8670e+000 </FigureOfMeritWolff> | |
| 4749 | - <FigureOfMeritWu name="Mwu20"> 3.0905e+000 </FigureOfMeritWu> | |
| 4750 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4850e+000 </ReversedFigureOfMeritWolff> | |
| 4751 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.7426e+000 </SymmetricFigureOfMeritWolff> | |
| 4752 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4753 | - <NumberOfMillerIndicesInRange> 8.3000e+001 </NumberOfMillerIndicesInRange> | |
| 4754 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4755 | - <NumberOfPeaksNecessaryToResolveDominantZone> 18 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4756 | - | |
| 4757 | - <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood> | |
| 4758 | - | |
| 4759 | - <EquivalentLatticeCandidates> | |
| 4760 | - </EquivalentLatticeCandidates> | |
| 4761 | - | |
| 4762 | - </LatticeCandidate> | |
| 4763 | - | |
| 4764 | - <LatticeCandidate number="0107015"> | |
| 4765 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4766 | - | |
| 4767 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4768 | - <ReducedLatticeParameters> 3.6021e+000 1.1849e+001 2.3275e+001 8.8501e+001 8.6209e+001 8.8910e+001 </ReducedLatticeParameters> | |
| 4769 | - <OptimizedLatticeParameters> 3.6021e+000 1.1849e+001 2.3275e+001 8.8501e+001 8.6209e+001 8.8910e+001 </OptimizedLatticeParameters> | |
| 4770 | - | |
| 4771 | - <VolumeOfUnitCell> 9.9072e+002 </VolumeOfUnitCell> | |
| 4772 | - <FigureOfMeritWolff name="M20"> 3.8647e+000 </FigureOfMeritWolff> | |
| 4773 | - <FigureOfMeritWu name="Mwu20"> 3.3358e+000 </FigureOfMeritWu> | |
| 4774 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6482e+000 </ReversedFigureOfMeritWolff> | |
| 4775 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.3696e+000 </SymmetricFigureOfMeritWolff> | |
| 4776 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4777 | - <NumberOfMillerIndicesInRange> 7.0000e+001 </NumberOfMillerIndicesInRange> | |
| 4778 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 4779 | - <NumberOfPeaksNecessaryToResolveDominantZone> 33 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4780 | - | |
| 4781 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 4782 | - | |
| 4783 | - <EquivalentLatticeCandidates> | |
| 4784 | - <LatticeCandidate> | |
| 4785 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4786 | - <LatticeParameters> 3.5996e+000 4.6386e+001 1.1839e+001 9.0000e+001 9.1031e+001 9.0000e+001 </LatticeParameters> | |
| 4787 | - </LatticeCandidate> | |
| 4788 | - </EquivalentLatticeCandidates> | |
| 4789 | - | |
| 4790 | - </LatticeCandidate> | |
| 4791 | - | |
| 4792 | - <LatticeCandidate number="0103519"> | |
| 4793 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4794 | - | |
| 4795 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4796 | - <ReducedLatticeParameters> 9.3632e+000 9.5182e+000 2.3113e+001 8.1600e+001 8.4244e+001 6.7749e+001 </ReducedLatticeParameters> | |
| 4797 | - <OptimizedLatticeParameters> 9.3632e+000 9.5182e+000 2.3113e+001 8.1600e+001 8.4244e+001 6.7749e+001 </OptimizedLatticeParameters> | |
| 4798 | - | |
| 4799 | - <VolumeOfUnitCell> 1.8837e+003 </VolumeOfUnitCell> | |
| 4800 | - <FigureOfMeritWolff name="M20"> 3.8637e+000 </FigureOfMeritWolff> | |
| 4801 | - <FigureOfMeritWu name="Mwu20"> 4.1689e+000 </FigureOfMeritWu> | |
| 4802 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5787e+000 </ReversedFigureOfMeritWolff> | |
| 4803 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.0995e+000 </SymmetricFigureOfMeritWolff> | |
| 4804 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4805 | - <NumberOfMillerIndicesInRange> 1.0800e+002 </NumberOfMillerIndicesInRange> | |
| 4806 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4807 | - <NumberOfPeaksNecessaryToResolveDominantZone> 7 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4808 | - | |
| 4809 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 4810 | - | |
| 4811 | - <EquivalentLatticeCandidates> | |
| 4812 | - <LatticeCandidate> | |
| 4813 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 4814 | - <LatticeParameters> 9.4103e+000 1.7316e+001 4.5669e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 4815 | - </LatticeCandidate> | |
| 4816 | - <LatticeCandidate> | |
| 4817 | - <CrystalSystem> Orthorhombic(I) </CrystalSystem> | |
| 4818 | - <LatticeParameters> 9.4103e+000 1.5931e+001 1.6464e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 4819 | - </LatticeCandidate> | |
| 4820 | - <LatticeCandidate> | |
| 4821 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4822 | - <LatticeParameters> 1.7614e+001 9.2601e+000 2.3640e+001 9.0000e+001 1.0500e+002 9.0000e+001 </LatticeParameters> | |
| 4823 | - </LatticeCandidate> | |
| 4824 | - <LatticeCandidate> | |
| 4825 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4826 | - <LatticeParameters> 1.5674e+001 1.0515e+001 2.3089e+001 9.0000e+001 9.8512e+001 9.0000e+001 </LatticeParameters> | |
| 4827 | - </LatticeCandidate> | |
| 4828 | - </EquivalentLatticeCandidates> | |
| 4829 | - | |
| 4830 | - </LatticeCandidate> | |
| 4831 | - | |
| 4832 | - <LatticeCandidate number="0106210"> | |
| 4833 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4834 | - | |
| 4835 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4836 | - <ReducedLatticeParameters> 8.3417e+000 1.2203e+001 1.2251e+001 6.4212e+001 8.2488e+001 8.3577e+001 </ReducedLatticeParameters> | |
| 4837 | - <OptimizedLatticeParameters> 8.3417e+000 1.2203e+001 1.2251e+001 6.4212e+001 8.2488e+001 8.3577e+001 </OptimizedLatticeParameters> | |
| 4838 | - | |
| 4839 | - <VolumeOfUnitCell> 1.1112e+003 </VolumeOfUnitCell> | |
| 4840 | - <FigureOfMeritWolff name="M20"> 3.8616e+000 </FigureOfMeritWolff> | |
| 4841 | - <FigureOfMeritWu name="Mwu20"> 3.9689e+000 </FigureOfMeritWu> | |
| 4842 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0055e+000 </ReversedFigureOfMeritWolff> | |
| 4843 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.7445e+000 </SymmetricFigureOfMeritWolff> | |
| 4844 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4845 | - <NumberOfMillerIndicesInRange> 6.7000e+001 </NumberOfMillerIndicesInRange> | |
| 4846 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4847 | - <NumberOfPeaksNecessaryToResolveDominantZone> 8 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4848 | - | |
| 4849 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 4850 | - | |
| 4851 | - <EquivalentLatticeCandidates> | |
| 4852 | - <LatticeCandidate> | |
| 4853 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4854 | - <LatticeParameters> 2.4254e+001 8.0492e+000 1.3008e+001 9.0000e+001 1.2226e+002 9.0000e+001 </LatticeParameters> | |
| 4855 | - </LatticeCandidate> | |
| 4856 | - <LatticeCandidate> | |
| 4857 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4858 | - <LatticeParameters> 2.0731e+001 1.3008e+001 8.3136e+000 9.0000e+001 9.8358e+001 9.0000e+001 </LatticeParameters> | |
| 4859 | - </LatticeCandidate> | |
| 4860 | - </EquivalentLatticeCandidates> | |
| 4861 | - | |
| 4862 | - </LatticeCandidate> | |
| 4863 | - | |
| 4864 | - <LatticeCandidate number="0104261"> | |
| 4865 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4866 | - | |
| 4867 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4868 | - <ReducedLatticeParameters> 4.3898e+000 1.4534e+001 2.4719e+001 8.5506e+001 8.7025e+001 8.1336e+001 </ReducedLatticeParameters> | |
| 4869 | - <OptimizedLatticeParameters> 4.3898e+000 1.4534e+001 2.4719e+001 8.5506e+001 8.7025e+001 8.1336e+001 </OptimizedLatticeParameters> | |
| 4870 | - | |
| 4871 | - <VolumeOfUnitCell> 1.5530e+003 </VolumeOfUnitCell> | |
| 4872 | - <FigureOfMeritWolff name="M20"> 3.8578e+000 </FigureOfMeritWolff> | |
| 4873 | - <FigureOfMeritWu name="Mwu20"> 3.7184e+000 </FigureOfMeritWu> | |
| 4874 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6042e+000 </ReversedFigureOfMeritWolff> | |
| 4875 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.1886e+000 </SymmetricFigureOfMeritWolff> | |
| 4876 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4877 | - <NumberOfMillerIndicesInRange> 9.9000e+001 </NumberOfMillerIndicesInRange> | |
| 4878 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4879 | - <NumberOfPeaksNecessaryToResolveDominantZone> 19 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4880 | - | |
| 4881 | - <NumberOfLatticesInNeighborhood> 4 </NumberOfLatticesInNeighborhood> | |
| 4882 | - | |
| 4883 | - <EquivalentLatticeCandidates> | |
| 4884 | - <LatticeCandidate> | |
| 4885 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4886 | - <LatticeParameters> 2.8719e+001 4.3882e+000 2.7678e+001 9.0000e+001 1.1708e+002 9.0000e+001 </LatticeParameters> | |
| 4887 | - </LatticeCandidate> | |
| 4888 | - <LatticeCandidate> | |
| 4889 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4890 | - <LatticeParameters> 4.3882e+000 4.9286e+001 1.4486e+001 9.0000e+001 9.8591e+001 9.0000e+001 </LatticeParameters> | |
| 4891 | - </LatticeCandidate> | |
| 4892 | - </EquivalentLatticeCandidates> | |
| 4893 | - | |
| 4894 | - </LatticeCandidate> | |
| 4895 | - | |
| 4896 | - <LatticeCandidate number="0108845"> | |
| 4897 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4898 | - | |
| 4899 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4900 | - <ReducedLatticeParameters> 5.7855e+000 6.6624e+000 2.1253e+001 8.4029e+001 8.6074e+001 7.7442e+001 </ReducedLatticeParameters> | |
| 4901 | - <OptimizedLatticeParameters> 5.7855e+000 6.6624e+000 2.1253e+001 8.4029e+001 8.6074e+001 7.7442e+001 </OptimizedLatticeParameters> | |
| 4902 | - | |
| 4903 | - <VolumeOfUnitCell> 7.9437e+002 </VolumeOfUnitCell> | |
| 4904 | - <FigureOfMeritWolff name="M20"> 3.8543e+000 </FigureOfMeritWolff> | |
| 4905 | - <FigureOfMeritWu name="Mwu20"> 2.9038e+000 </FigureOfMeritWu> | |
| 4906 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6990e+000 </ReversedFigureOfMeritWolff> | |
| 4907 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.5483e+000 </SymmetricFigureOfMeritWolff> | |
| 4908 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4909 | - <NumberOfMillerIndicesInRange> 4.3000e+001 </NumberOfMillerIndicesInRange> | |
| 4910 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4911 | - <NumberOfPeaksNecessaryToResolveDominantZone> 14 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4912 | - | |
| 4913 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 4914 | - | |
| 4915 | - <EquivalentLatticeCandidates> | |
| 4916 | - <LatticeCandidate> | |
| 4917 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 4918 | - <LatticeParameters> 6.9681e+000 6.9681e+000 6.3259e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 4919 | - </LatticeCandidate> | |
| 4920 | - <LatticeCandidate> | |
| 4921 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 4922 | - <LatticeParameters> 7.7453e+000 9.5683e+000 4.2172e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 4923 | - </LatticeCandidate> | |
| 4924 | - <LatticeCandidate> | |
| 4925 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4926 | - <LatticeParameters> 9.6352e+000 7.7453e+000 2.1213e+001 9.0000e+001 9.6277e+001 9.0000e+001 </LatticeParameters> | |
| 4927 | - </LatticeCandidate> | |
| 4928 | - <LatticeCandidate> | |
| 4929 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4930 | - <LatticeParameters> 1.3007e+001 5.6517e+000 2.1565e+001 9.0000e+001 1.0210e+002 9.0000e+001 </LatticeParameters> | |
| 4931 | - </LatticeCandidate> | |
| 4932 | - <LatticeCandidate> | |
| 4933 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4934 | - <LatticeParameters> 7.8259e+000 4.2172e+001 5.7675e+000 9.0000e+001 1.2395e+002 9.0000e+001 </LatticeParameters> | |
| 4935 | - </LatticeCandidate> | |
| 4936 | - <LatticeCandidate> | |
| 4937 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4938 | - <LatticeParameters> 6.6530e+000 4.2172e+001 5.7939e+000 9.0000e+001 1.0265e+002 9.0000e+001 </LatticeParameters> | |
| 4939 | - </LatticeCandidate> | |
| 4940 | - <LatticeCandidate> | |
| 4941 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4942 | - <LatticeParameters> 5.6576e+000 1.2950e+001 2.1168e+001 9.0000e+001 9.5044e+001 9.0000e+001 </LatticeParameters> | |
| 4943 | - </LatticeCandidate> | |
| 4944 | - <LatticeCandidate> | |
| 4945 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4946 | - <LatticeParameters> 7.7475e+000 9.5683e+000 2.1355e+001 9.0000e+001 9.9098e+001 9.0000e+001 </LatticeParameters> | |
| 4947 | - </LatticeCandidate> | |
| 4948 | - <LatticeCandidate> | |
| 4949 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4950 | - <LatticeParameters> 5.7842e+000 4.2172e+001 6.6421e+000 9.0000e+001 1.0289e+002 9.0000e+001 </LatticeParameters> | |
| 4951 | - </LatticeCandidate> | |
| 4952 | - </EquivalentLatticeCandidates> | |
| 4953 | - | |
| 4954 | - </LatticeCandidate> | |
| 4955 | - | |
| 4956 | - <LatticeCandidate number="01013373"> | |
| 4957 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4958 | - | |
| 4959 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4960 | - <ReducedLatticeParameters> 4.9652e+000 9.7613e+000 1.1010e+001 7.5769e+001 8.9250e+001 7.7766e+001 </ReducedLatticeParameters> | |
| 4961 | - <OptimizedLatticeParameters> 4.9652e+000 9.7613e+000 1.1010e+001 1.0423e+002 8.9250e+001 1.0223e+002 </OptimizedLatticeParameters> | |
| 4962 | - | |
| 4963 | - <VolumeOfUnitCell> 5.0509e+002 </VolumeOfUnitCell> | |
| 4964 | - <FigureOfMeritWolff name="M20"> 3.8508e+000 </FigureOfMeritWolff> | |
| 4965 | - <FigureOfMeritWu name="Mwu20"> 3.2384e+000 </FigureOfMeritWu> | |
| 4966 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.4575e+000 </ReversedFigureOfMeritWolff> | |
| 4967 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.4636e+000 </SymmetricFigureOfMeritWolff> | |
| 4968 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4969 | - <NumberOfMillerIndicesInRange> 3.1000e+001 </NumberOfMillerIndicesInRange> | |
| 4970 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 4971 | - <NumberOfPeaksNecessaryToResolveDominantZone> 18 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 4972 | - | |
| 4973 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 4974 | - | |
| 4975 | - <EquivalentLatticeCandidates> | |
| 4976 | - <LatticeCandidate> | |
| 4977 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 4978 | - <LatticeParameters> 1.9092e+001 4.9618e+000 1.0994e+001 9.0000e+001 1.0447e+002 9.0000e+001 </LatticeParameters> | |
| 4979 | - </LatticeCandidate> | |
| 4980 | - </EquivalentLatticeCandidates> | |
| 4981 | - | |
| 4982 | - </LatticeCandidate> | |
| 4983 | - | |
| 4984 | - <LatticeCandidate number="0107236"> | |
| 4985 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 4986 | - | |
| 4987 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 4988 | - <ReducedLatticeParameters> 4.0015e+000 1.6200e+001 1.6818e+001 1.1627e+002 9.4345e+001 9.6158e+001 </ReducedLatticeParameters> | |
| 4989 | - <OptimizedLatticeParameters> 4.0015e+000 1.6265e+001 1.6818e+001 6.2642e+001 8.5655e+001 8.2000e+001 </OptimizedLatticeParameters> | |
| 4990 | - | |
| 4991 | - <VolumeOfUnitCell> 9.6263e+002 </VolumeOfUnitCell> | |
| 4992 | - <FigureOfMeritWolff name="M20"> 3.8408e+000 </FigureOfMeritWolff> | |
| 4993 | - <FigureOfMeritWu name="Mwu20"> 3.3413e+000 </FigureOfMeritWu> | |
| 4994 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6218e+000 </ReversedFigureOfMeritWolff> | |
| 4995 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.2291e+000 </SymmetricFigureOfMeritWolff> | |
| 4996 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 4997 | - <NumberOfMillerIndicesInRange> 6.6000e+001 </NumberOfMillerIndicesInRange> | |
| 4998 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 4999 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5000 | - | |
| 5001 | - <NumberOfLatticesInNeighborhood> 10 </NumberOfLatticesInNeighborhood> | |
| 5002 | - | |
| 5003 | - <EquivalentLatticeCandidates> | |
| 5004 | - </EquivalentLatticeCandidates> | |
| 5005 | - | |
| 5006 | - </LatticeCandidate> | |
| 5007 | - | |
| 5008 | - <LatticeCandidate number="0106356"> | |
| 5009 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5010 | - | |
| 5011 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5012 | - <ReducedLatticeParameters> 5.3066e+000 1.1195e+001 1.8358e+001 8.8132e+001 8.8317e+001 8.8064e+001 </ReducedLatticeParameters> | |
| 5013 | - <OptimizedLatticeParameters> 5.3066e+000 1.1195e+001 1.8358e+001 8.8132e+001 8.8317e+001 8.8064e+001 </OptimizedLatticeParameters> | |
| 5014 | - | |
| 5015 | - <VolumeOfUnitCell> 1.0890e+003 </VolumeOfUnitCell> | |
| 5016 | - <FigureOfMeritWolff name="M20"> 3.8385e+000 </FigureOfMeritWolff> | |
| 5017 | - <FigureOfMeritWu name="Mwu20"> 3.4963e+000 </FigureOfMeritWu> | |
| 5018 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8799e+000 </ReversedFigureOfMeritWolff> | |
| 5019 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.2161e+000 </SymmetricFigureOfMeritWolff> | |
| 5020 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5021 | - <NumberOfMillerIndicesInRange> 6.3000e+001 </NumberOfMillerIndicesInRange> | |
| 5022 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 5023 | - <NumberOfPeaksNecessaryToResolveDominantZone> 15 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5024 | - | |
| 5025 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 5026 | - | |
| 5027 | - <EquivalentLatticeCandidates> | |
| 5028 | - <LatticeCandidate> | |
| 5029 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5030 | - <LatticeParameters> 5.2733e+000 3.6695e+001 1.1168e+001 9.0000e+001 9.2251e+001 9.0000e+001 </LatticeParameters> | |
| 5031 | - </LatticeCandidate> | |
| 5032 | - </EquivalentLatticeCandidates> | |
| 5033 | - | |
| 5034 | - </LatticeCandidate> | |
| 5035 | - | |
| 5036 | - <LatticeCandidate number="01017561"> | |
| 5037 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5038 | - | |
| 5039 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5040 | - <ReducedLatticeParameters> 3.9433e+000 9.1048e+000 1.0733e+001 1.1275e+002 9.4067e+001 9.3482e+001 </ReducedLatticeParameters> | |
| 5041 | - <OptimizedLatticeParameters> 3.9433e+000 9.1048e+000 1.0733e+001 1.1275e+002 9.4067e+001 9.3482e+001 </OptimizedLatticeParameters> | |
| 5042 | - | |
| 5043 | - <VolumeOfUnitCell> 3.5285e+002 </VolumeOfUnitCell> | |
| 5044 | - <FigureOfMeritWolff name="M20"> 3.8379e+000 </FigureOfMeritWolff> | |
| 5045 | - <FigureOfMeritWu name="Mwu20"> 3.4890e+000 </FigureOfMeritWu> | |
| 5046 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.5090e+000 </ReversedFigureOfMeritWolff> | |
| 5047 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.6293e+000 </SymmetricFigureOfMeritWolff> | |
| 5048 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5049 | - <NumberOfMillerIndicesInRange> 2.4000e+001 </NumberOfMillerIndicesInRange> | |
| 5050 | - <NumberOfIndexedPeaks> 16 </NumberOfIndexedPeaks> | |
| 5051 | - <NumberOfPeaksNecessaryToResolveDominantZone> 33 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5052 | - | |
| 5053 | - <NumberOfLatticesInNeighborhood> 28 </NumberOfLatticesInNeighborhood> | |
| 5054 | - | |
| 5055 | - <EquivalentLatticeCandidates> | |
| 5056 | - </EquivalentLatticeCandidates> | |
| 5057 | - | |
| 5058 | - </LatticeCandidate> | |
| 5059 | - | |
| 5060 | - <LatticeCandidate number="0105580"> | |
| 5061 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5062 | - | |
| 5063 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5064 | - <ReducedLatticeParameters> 4.3700e+000 1.0330e+001 2.7549e+001 8.4133e+001 8.5749e+001 7.8366e+001 </ReducedLatticeParameters> | |
| 5065 | - <OptimizedLatticeParameters> 4.3700e+000 1.0330e+001 2.7549e+001 8.4133e+001 8.5749e+001 7.8366e+001 </OptimizedLatticeParameters> | |
| 5066 | - | |
| 5067 | - <VolumeOfUnitCell> 1.2099e+003 </VolumeOfUnitCell> | |
| 5068 | - <FigureOfMeritWolff name="M20"> 3.8266e+000 </FigureOfMeritWolff> | |
| 5069 | - <FigureOfMeritWu name="Mwu20"> 3.6351e+000 </FigureOfMeritWu> | |
| 5070 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.7889e+000 </ReversedFigureOfMeritWolff> | |
| 5071 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.8457e+000 </SymmetricFigureOfMeritWolff> | |
| 5072 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5073 | - <NumberOfMillerIndicesInRange> 7.8000e+001 </NumberOfMillerIndicesInRange> | |
| 5074 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 5075 | - <NumberOfPeaksNecessaryToResolveDominantZone> 19 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5076 | - | |
| 5077 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 5078 | - | |
| 5079 | - <EquivalentLatticeCandidates> | |
| 5080 | - <LatticeCandidate> | |
| 5081 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5082 | - <LatticeParameters> 2.0217e+001 4.3727e+000 2.8388e+001 9.0000e+001 1.0566e+002 9.0000e+001 </LatticeParameters> | |
| 5083 | - </LatticeCandidate> | |
| 5084 | - <LatticeCandidate> | |
| 5085 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5086 | - <LatticeParameters> 1.0282e+001 5.4668e+001 4.3702e+000 9.0000e+001 1.0186e+002 9.0000e+001 </LatticeParameters> | |
| 5087 | - </LatticeCandidate> | |
| 5088 | - <LatticeCandidate> | |
| 5089 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5090 | - <LatticeParameters> 1.0330e+001 5.4668e+001 4.3688e+000 9.0000e+001 1.0306e+002 9.0000e+001 </LatticeParameters> | |
| 5091 | - </LatticeCandidate> | |
| 5092 | - <LatticeCandidate> | |
| 5093 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5094 | - <LatticeParameters> 4.3729e+000 5.4668e+001 1.0282e+001 9.0000e+001 1.0170e+002 9.0000e+001 </LatticeParameters> | |
| 5095 | - </LatticeCandidate> | |
| 5096 | - <LatticeCandidate> | |
| 5097 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5098 | - <LatticeParameters> 4.3727e+000 2.0136e+001 2.7410e+001 9.0000e+001 9.4276e+001 9.0000e+001 </LatticeParameters> | |
| 5099 | - </LatticeCandidate> | |
| 5100 | - </EquivalentLatticeCandidates> | |
| 5101 | - | |
| 5102 | - </LatticeCandidate> | |
| 5103 | - | |
| 5104 | - <LatticeCandidate number="01012100"> | |
| 5105 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5106 | - | |
| 5107 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5108 | - <ReducedLatticeParameters> 3.9233e+000 6.8562e+000 2.1266e+001 8.2987e+001 8.8761e+001 8.7880e+001 </ReducedLatticeParameters> | |
| 5109 | - <OptimizedLatticeParameters> 3.9233e+000 6.8562e+000 2.1266e+001 8.2987e+001 8.8761e+001 8.7880e+001 </OptimizedLatticeParameters> | |
| 5110 | - | |
| 5111 | - <VolumeOfUnitCell> 5.6726e+002 </VolumeOfUnitCell> | |
| 5112 | - <FigureOfMeritWolff name="M20"> 3.8186e+000 </FigureOfMeritWolff> | |
| 5113 | - <FigureOfMeritWu name="Mwu20"> 3.5287e+000 </FigureOfMeritWu> | |
| 5114 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5261e+000 </ReversedFigureOfMeritWolff> | |
| 5115 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.8274e+000 </SymmetricFigureOfMeritWolff> | |
| 5116 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5117 | - <NumberOfMillerIndicesInRange> 4.3000e+001 </NumberOfMillerIndicesInRange> | |
| 5118 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 5119 | - <NumberOfPeaksNecessaryToResolveDominantZone> 34 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5120 | - | |
| 5121 | - <NumberOfLatticesInNeighborhood> 2 </NumberOfLatticesInNeighborhood> | |
| 5122 | - | |
| 5123 | - <EquivalentLatticeCandidates> | |
| 5124 | - </EquivalentLatticeCandidates> | |
| 5125 | - | |
| 5126 | - </LatticeCandidate> | |
| 5127 | - | |
| 5128 | - <LatticeCandidate number="01013823"> | |
| 5129 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5130 | - | |
| 5131 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5132 | - <ReducedLatticeParameters> 4.0009e+000 8.5450e+000 1.4369e+001 9.3363e+001 9.6432e+001 9.3898e+001 </ReducedLatticeParameters> | |
| 5133 | - <OptimizedLatticeParameters> 4.0009e+000 8.5450e+000 1.4369e+001 9.3363e+001 9.6432e+001 9.3898e+001 </OptimizedLatticeParameters> | |
| 5134 | - | |
| 5135 | - <VolumeOfUnitCell> 4.8595e+002 </VolumeOfUnitCell> | |
| 5136 | - <FigureOfMeritWolff name="M20"> 3.8179e+000 </FigureOfMeritWolff> | |
| 5137 | - <FigureOfMeritWu name="Mwu20"> 3.3957e+000 </FigureOfMeritWu> | |
| 5138 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8704e+000 </ReversedFigureOfMeritWolff> | |
| 5139 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.1411e+000 </SymmetricFigureOfMeritWolff> | |
| 5140 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5141 | - <NumberOfMillerIndicesInRange> 2.9000e+001 </NumberOfMillerIndicesInRange> | |
| 5142 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 5143 | - <NumberOfPeaksNecessaryToResolveDominantZone> 29 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5144 | - | |
| 5145 | - <NumberOfLatticesInNeighborhood> 22 </NumberOfLatticesInNeighborhood> | |
| 5146 | - | |
| 5147 | - <EquivalentLatticeCandidates> | |
| 5148 | - </EquivalentLatticeCandidates> | |
| 5149 | - | |
| 5150 | - </LatticeCandidate> | |
| 5151 | - | |
| 5152 | - <LatticeCandidate number="0109525"> | |
| 5153 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5154 | - | |
| 5155 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5156 | - <ReducedLatticeParameters> 4.1515e+000 1.0195e+001 1.7881e+001 9.5278e+001 9.1688e+001 1.0115e+002 </ReducedLatticeParameters> | |
| 5157 | - <OptimizedLatticeParameters> 4.1515e+000 1.0195e+001 1.7881e+001 9.5278e+001 9.1688e+001 1.0115e+002 </OptimizedLatticeParameters> | |
| 5158 | - | |
| 5159 | - <VolumeOfUnitCell> 7.3853e+002 </VolumeOfUnitCell> | |
| 5160 | - <FigureOfMeritWolff name="M20"> 3.8152e+000 </FigureOfMeritWolff> | |
| 5161 | - <FigureOfMeritWu name="Mwu20"> 3.3035e+000 </FigureOfMeritWu> | |
| 5162 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.7280e+000 </ReversedFigureOfMeritWolff> | |
| 5163 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.5928e+000 </SymmetricFigureOfMeritWolff> | |
| 5164 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5165 | - <NumberOfMillerIndicesInRange> 4.9000e+001 </NumberOfMillerIndicesInRange> | |
| 5166 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 5167 | - <NumberOfPeaksNecessaryToResolveDominantZone> 24 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5168 | - | |
| 5169 | - <NumberOfLatticesInNeighborhood> 10 </NumberOfLatticesInNeighborhood> | |
| 5170 | - | |
| 5171 | - <EquivalentLatticeCandidates> | |
| 5172 | - </EquivalentLatticeCandidates> | |
| 5173 | - | |
| 5174 | - </LatticeCandidate> | |
| 5175 | - | |
| 5176 | - <LatticeCandidate number="01012283"> | |
| 5177 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5178 | - | |
| 5179 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5180 | - <ReducedLatticeParameters> 4.0669e+000 8.7340e+000 1.6086e+001 9.3601e+001 9.4991e+001 1.0095e+002 </ReducedLatticeParameters> | |
| 5181 | - <OptimizedLatticeParameters> 4.0669e+000 8.7340e+000 1.6086e+001 9.3601e+001 9.4991e+001 1.0095e+002 </OptimizedLatticeParameters> | |
| 5182 | - | |
| 5183 | - <VolumeOfUnitCell> 5.5700e+002 </VolumeOfUnitCell> | |
| 5184 | - <FigureOfMeritWolff name="M20"> 3.8035e+000 </FigureOfMeritWolff> | |
| 5185 | - <FigureOfMeritWu name="Mwu20"> 3.5487e+000 </FigureOfMeritWu> | |
| 5186 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.4063e+000 </ReversedFigureOfMeritWolff> | |
| 5187 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.1524e+000 </SymmetricFigureOfMeritWolff> | |
| 5188 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5189 | - <NumberOfMillerIndicesInRange> 3.7000e+001 </NumberOfMillerIndicesInRange> | |
| 5190 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 5191 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5192 | - | |
| 5193 | - <NumberOfLatticesInNeighborhood> 40 </NumberOfLatticesInNeighborhood> | |
| 5194 | - | |
| 5195 | - <EquivalentLatticeCandidates> | |
| 5196 | - <LatticeCandidate> | |
| 5197 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5198 | - <LatticeParameters> 4.0658e+000 3.1876e+001 8.6867e+000 9.0000e+001 1.0078e+002 9.0000e+001 </LatticeParameters> | |
| 5199 | - </LatticeCandidate> | |
| 5200 | - <LatticeCandidate> | |
| 5201 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5202 | - <LatticeParameters> 8.7728e+000 3.1876e+001 4.0691e+000 9.0000e+001 1.0606e+002 9.0000e+001 </LatticeParameters> | |
| 5203 | - </LatticeCandidate> | |
| 5204 | - </EquivalentLatticeCandidates> | |
| 5205 | - | |
| 5206 | - </LatticeCandidate> | |
| 5207 | - | |
| 5208 | - <LatticeCandidate number="01010623"> | |
| 5209 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5210 | - | |
| 5211 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5212 | - <ReducedLatticeParameters> 4.7149e+000 6.0575e+000 2.3221e+001 8.8850e+001 8.6017e+001 8.2550e+001 </ReducedLatticeParameters> | |
| 5213 | - <OptimizedLatticeParameters> 4.7149e+000 6.0575e+000 2.3221e+001 8.8850e+001 8.6017e+001 8.2550e+001 </OptimizedLatticeParameters> | |
| 5214 | - | |
| 5215 | - <VolumeOfUnitCell> 6.5596e+002 </VolumeOfUnitCell> | |
| 5216 | - <FigureOfMeritWolff name="M20"> 3.7916e+000 </FigureOfMeritWolff> | |
| 5217 | - <FigureOfMeritWu name="Mwu20"> 2.8378e+000 </FigureOfMeritWu> | |
| 5218 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5560e+000 </ReversedFigureOfMeritWolff> | |
| 5219 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.8999e+000 </SymmetricFigureOfMeritWolff> | |
| 5220 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5221 | - <NumberOfMillerIndicesInRange> 4.2000e+001 </NumberOfMillerIndicesInRange> | |
| 5222 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 5223 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5224 | - | |
| 5225 | - <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood> | |
| 5226 | - | |
| 5227 | - <EquivalentLatticeCandidates> | |
| 5228 | - <LatticeCandidate> | |
| 5229 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5230 | - <LatticeParameters> 7.1565e+000 4.6282e+001 4.7133e+000 9.0000e+001 1.2367e+002 9.0000e+001 </LatticeParameters> | |
| 5231 | - </LatticeCandidate> | |
| 5232 | - <LatticeCandidate> | |
| 5233 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5234 | - <LatticeParameters> 6.0118e+000 4.6282e+001 4.7112e+000 9.0000e+001 9.7821e+001 9.0000e+001 </LatticeParameters> | |
| 5235 | - </LatticeCandidate> | |
| 5236 | - <LatticeCandidate> | |
| 5237 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5238 | - <LatticeParameters> 4.5628e+000 1.1999e+001 2.3201e+001 9.0000e+001 9.4120e+001 9.0000e+001 </LatticeParameters> | |
| 5239 | - </LatticeCandidate> | |
| 5240 | - <LatticeCandidate> | |
| 5241 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5242 | - <LatticeParameters> 4.7162e+000 4.6282e+001 6.0499e+000 9.0000e+001 9.7414e+001 9.0000e+001 </LatticeParameters> | |
| 5243 | - </LatticeCandidate> | |
| 5244 | - </EquivalentLatticeCandidates> | |
| 5245 | - | |
| 5246 | - </LatticeCandidate> | |
| 5247 | - | |
| 5248 | - <LatticeCandidate number="0108191"> | |
| 5249 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5250 | - | |
| 5251 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5252 | - <ReducedLatticeParameters> 7.6907e+000 9.0705e+000 1.2747e+001 9.7980e+001 9.9489e+001 9.8788e+001 </ReducedLatticeParameters> | |
| 5253 | - <OptimizedLatticeParameters> 7.6907e+000 9.0705e+000 1.2747e+001 9.7980e+001 9.9489e+001 9.8788e+001 </OptimizedLatticeParameters> | |
| 5254 | - | |
| 5255 | - <VolumeOfUnitCell> 8.5436e+002 </VolumeOfUnitCell> | |
| 5256 | - <FigureOfMeritWolff name="M20"> 3.7912e+000 </FigureOfMeritWolff> | |
| 5257 | - <FigureOfMeritWu name="Mwu20"> 3.4243e+000 </FigureOfMeritWu> | |
| 5258 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.0859e+000 </ReversedFigureOfMeritWolff> | |
| 5259 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.9080e+000 </SymmetricFigureOfMeritWolff> | |
| 5260 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5261 | - <NumberOfMillerIndicesInRange> 5.1000e+001 </NumberOfMillerIndicesInRange> | |
| 5262 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 5263 | - <NumberOfPeaksNecessaryToResolveDominantZone> 11 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5264 | - | |
| 5265 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 5266 | - | |
| 5267 | - <EquivalentLatticeCandidates> | |
| 5268 | - </EquivalentLatticeCandidates> | |
| 5269 | - | |
| 5270 | - </LatticeCandidate> | |
| 5271 | - | |
| 5272 | - <LatticeCandidate number="01016346"> | |
| 5273 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5274 | - | |
| 5275 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5276 | - <ReducedLatticeParameters> 3.8144e+000 1.0297e+001 1.0562e+001 1.0776e+002 9.6626e+001 9.3584e+001 </ReducedLatticeParameters> | |
| 5277 | - <OptimizedLatticeParameters> 3.8144e+000 1.0297e+001 1.0562e+001 1.0776e+002 9.6626e+001 9.3584e+001 </OptimizedLatticeParameters> | |
| 5278 | - | |
| 5279 | - <VolumeOfUnitCell> 3.9034e+002 </VolumeOfUnitCell> | |
| 5280 | - <FigureOfMeritWolff name="M20"> 3.7898e+000 </FigureOfMeritWolff> | |
| 5281 | - <FigureOfMeritWu name="Mwu20"> 2.8844e+000 </FigureOfMeritWu> | |
| 5282 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1453e+000 </ReversedFigureOfMeritWolff> | |
| 5283 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.1302e+000 </SymmetricFigureOfMeritWolff> | |
| 5284 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5285 | - <NumberOfMillerIndicesInRange> 2.8000e+001 </NumberOfMillerIndicesInRange> | |
| 5286 | - <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks> | |
| 5287 | - <NumberOfPeaksNecessaryToResolveDominantZone> 33 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5288 | - | |
| 5289 | - <NumberOfLatticesInNeighborhood> 12 </NumberOfLatticesInNeighborhood> | |
| 5290 | - | |
| 5291 | - <EquivalentLatticeCandidates> | |
| 5292 | - </EquivalentLatticeCandidates> | |
| 5293 | - | |
| 5294 | - </LatticeCandidate> | |
| 5295 | - | |
| 5296 | - <LatticeCandidate number="01018016"> | |
| 5297 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5298 | - | |
| 5299 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5300 | - <ReducedLatticeParameters> 3.8670e+000 7.1875e+000 1.2799e+001 7.5864e+001 8.1878e+001 7.8240e+001 </ReducedLatticeParameters> | |
| 5301 | - <OptimizedLatticeParameters> 3.8670e+000 7.1875e+000 1.2799e+001 7.5864e+001 8.1878e+001 7.8240e+001 </OptimizedLatticeParameters> | |
| 5302 | - | |
| 5303 | - <VolumeOfUnitCell> 3.3614e+002 </VolumeOfUnitCell> | |
| 5304 | - <FigureOfMeritWolff name="M20"> 3.7788e+000 </FigureOfMeritWolff> | |
| 5305 | - <FigureOfMeritWu name="Mwu20"> 2.8581e+000 </FigureOfMeritWu> | |
| 5306 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.3256e+000 </ReversedFigureOfMeritWolff> | |
| 5307 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.7879e+000 </SymmetricFigureOfMeritWolff> | |
| 5308 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5309 | - <NumberOfMillerIndicesInRange> 2.5000e+001 </NumberOfMillerIndicesInRange> | |
| 5310 | - <NumberOfIndexedPeaks> 17 </NumberOfIndexedPeaks> | |
| 5311 | - <NumberOfPeaksNecessaryToResolveDominantZone> 32 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5312 | - | |
| 5313 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 5314 | - | |
| 5315 | - <EquivalentLatticeCandidates> | |
| 5316 | - </EquivalentLatticeCandidates> | |
| 5317 | - | |
| 5318 | - </LatticeCandidate> | |
| 5319 | - | |
| 5320 | - <LatticeCandidate number="0103773"> | |
| 5321 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5322 | - | |
| 5323 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5324 | - <ReducedLatticeParameters> 5.5060e+000 1.2542e+001 2.6053e+001 9.5962e+001 9.3963e+001 9.9806e+001 </ReducedLatticeParameters> | |
| 5325 | - <OptimizedLatticeParameters> 5.5060e+000 1.2542e+001 2.6053e+001 9.5962e+001 9.3963e+001 9.9806e+001 </OptimizedLatticeParameters> | |
| 5326 | - | |
| 5327 | - <VolumeOfUnitCell> 1.7562e+003 </VolumeOfUnitCell> | |
| 5328 | - <FigureOfMeritWolff name="M20"> 3.7654e+000 </FigureOfMeritWolff> | |
| 5329 | - <FigureOfMeritWu name="Mwu20"> 4.0116e+000 </FigureOfMeritWu> | |
| 5330 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.7629e+000 </ReversedFigureOfMeritWolff> | |
| 5331 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.6381e+000 </SymmetricFigureOfMeritWolff> | |
| 5332 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5333 | - <NumberOfMillerIndicesInRange> 9.3000e+001 </NumberOfMillerIndicesInRange> | |
| 5334 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 5335 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5336 | - | |
| 5337 | - <NumberOfLatticesInNeighborhood> 7 </NumberOfLatticesInNeighborhood> | |
| 5338 | - | |
| 5339 | - <EquivalentLatticeCandidates> | |
| 5340 | - <LatticeCandidate> | |
| 5341 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5342 | - <LatticeParameters> 2.4681e+001 5.4927e+000 2.7453e+001 9.0000e+001 1.0988e+002 9.0000e+001 </LatticeParameters> | |
| 5343 | - </LatticeCandidate> | |
| 5344 | - </EquivalentLatticeCandidates> | |
| 5345 | - | |
| 5346 | - </LatticeCandidate> | |
| 5347 | - | |
| 5348 | - <LatticeCandidate number="0108365"> | |
| 5349 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5350 | - | |
| 5351 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5352 | - <ReducedLatticeParameters> 4.9592e+000 9.7225e+000 1.7928e+001 8.0996e+001 8.3580e+001 7.9694e+001 </ReducedLatticeParameters> | |
| 5353 | - <OptimizedLatticeParameters> 4.9592e+000 9.7225e+000 1.7928e+001 8.0996e+001 8.3580e+001 7.9694e+001 </OptimizedLatticeParameters> | |
| 5354 | - | |
| 5355 | - <VolumeOfUnitCell> 8.3684e+002 </VolumeOfUnitCell> | |
| 5356 | - <FigureOfMeritWolff name="M20"> 3.7597e+000 </FigureOfMeritWolff> | |
| 5357 | - <FigureOfMeritWu name="Mwu20"> 3.3028e+000 </FigureOfMeritWu> | |
| 5358 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4321e+000 </ReversedFigureOfMeritWolff> | |
| 5359 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.3841e+000 </SymmetricFigureOfMeritWolff> | |
| 5360 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5361 | - <NumberOfMillerIndicesInRange> 4.9000e+001 </NumberOfMillerIndicesInRange> | |
| 5362 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 5363 | - <NumberOfPeaksNecessaryToResolveDominantZone> 15 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5364 | - | |
| 5365 | - <NumberOfLatticesInNeighborhood> 14 </NumberOfLatticesInNeighborhood> | |
| 5366 | - | |
| 5367 | - <EquivalentLatticeCandidates> | |
| 5368 | - </EquivalentLatticeCandidates> | |
| 5369 | - | |
| 5370 | - </LatticeCandidate> | |
| 5371 | - | |
| 5372 | - <LatticeCandidate number="01010396"> | |
| 5373 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5374 | - | |
| 5375 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5376 | - <ReducedLatticeParameters> 3.9729e+000 1.1886e+001 1.4756e+001 1.0386e+002 9.5422e+001 9.2562e+001 </ReducedLatticeParameters> | |
| 5377 | - <OptimizedLatticeParameters> 3.9729e+000 1.1886e+001 1.4756e+001 1.0386e+002 9.5422e+001 9.2562e+001 </OptimizedLatticeParameters> | |
| 5378 | - | |
| 5379 | - <VolumeOfUnitCell> 6.7186e+002 </VolumeOfUnitCell> | |
| 5380 | - <FigureOfMeritWolff name="M20"> 3.7595e+000 </FigureOfMeritWolff> | |
| 5381 | - <FigureOfMeritWu name="Mwu20"> 3.1597e+000 </FigureOfMeritWu> | |
| 5382 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6243e+000 </ReversedFigureOfMeritWolff> | |
| 5383 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.1066e+000 </SymmetricFigureOfMeritWolff> | |
| 5384 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5385 | - <NumberOfMillerIndicesInRange> 4.8000e+001 </NumberOfMillerIndicesInRange> | |
| 5386 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 5387 | - <NumberOfPeaksNecessaryToResolveDominantZone> 27 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5388 | - | |
| 5389 | - <NumberOfLatticesInNeighborhood> 12 </NumberOfLatticesInNeighborhood> | |
| 5390 | - | |
| 5391 | - <EquivalentLatticeCandidates> | |
| 5392 | - </EquivalentLatticeCandidates> | |
| 5393 | - | |
| 5394 | - </LatticeCandidate> | |
| 5395 | - | |
| 5396 | - <LatticeCandidate number="0104156"> | |
| 5397 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5398 | - | |
| 5399 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5400 | - <ReducedLatticeParameters> 3.9887e+000 1.8907e+001 2.1289e+001 8.4278e+001 8.8112e+001 8.8493e+001 </ReducedLatticeParameters> | |
| 5401 | - <OptimizedLatticeParameters> 3.9887e+000 1.8907e+001 2.1289e+001 8.4278e+001 8.8112e+001 8.8493e+001 </OptimizedLatticeParameters> | |
| 5402 | - | |
| 5403 | - <VolumeOfUnitCell> 1.5962e+003 </VolumeOfUnitCell> | |
| 5404 | - <FigureOfMeritWolff name="M20"> 3.7570e+000 </FigureOfMeritWolff> | |
| 5405 | - <FigureOfMeritWu name="Mwu20"> 3.3168e+000 </FigureOfMeritWu> | |
| 5406 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4472e+000 </ReversedFigureOfMeritWolff> | |
| 5407 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.4372e+000 </SymmetricFigureOfMeritWolff> | |
| 5408 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5409 | - <NumberOfMillerIndicesInRange> 1.1400e+002 </NumberOfMillerIndicesInRange> | |
| 5410 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 5411 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5412 | - | |
| 5413 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 5414 | - | |
| 5415 | - <EquivalentLatticeCandidates> | |
| 5416 | - <LatticeCandidate> | |
| 5417 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5418 | - <LatticeParameters> 3.7851e+001 3.9707e+000 2.6996e+001 9.0000e+001 1.2849e+002 9.0000e+001 </LatticeParameters> | |
| 5419 | - </LatticeCandidate> | |
| 5420 | - </EquivalentLatticeCandidates> | |
| 5421 | - | |
| 5422 | - </LatticeCandidate> | |
| 5423 | - | |
| 5424 | - <LatticeCandidate number="01013124"> | |
| 5425 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5426 | - | |
| 5427 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5428 | - <ReducedLatticeParameters> 4.3657e+000 9.7511e+000 1.2242e+001 9.3339e+001 9.5548e+001 9.5297e+001 </ReducedLatticeParameters> | |
| 5429 | - <OptimizedLatticeParameters> 4.3657e+000 9.7511e+000 1.2242e+001 9.3339e+001 9.5548e+001 9.5297e+001 </OptimizedLatticeParameters> | |
| 5430 | - | |
| 5431 | - <VolumeOfUnitCell> 5.1529e+002 </VolumeOfUnitCell> | |
| 5432 | - <FigureOfMeritWolff name="M20"> 3.7513e+000 </FigureOfMeritWolff> | |
| 5433 | - <FigureOfMeritWu name="Mwu20"> 3.1725e+000 </FigureOfMeritWu> | |
| 5434 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8966e+000 </ReversedFigureOfMeritWolff> | |
| 5435 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.1146e+000 </SymmetricFigureOfMeritWolff> | |
| 5436 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5437 | - <NumberOfMillerIndicesInRange> 3.6000e+001 </NumberOfMillerIndicesInRange> | |
| 5438 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 5439 | - <NumberOfPeaksNecessaryToResolveDominantZone> 24 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5440 | - | |
| 5441 | - <NumberOfLatticesInNeighborhood> 19 </NumberOfLatticesInNeighborhood> | |
| 5442 | - | |
| 5443 | - <EquivalentLatticeCandidates> | |
| 5444 | - </EquivalentLatticeCandidates> | |
| 5445 | - | |
| 5446 | - </LatticeCandidate> | |
| 5447 | - | |
| 5448 | - <LatticeCandidate number="01011528"> | |
| 5449 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5450 | - | |
| 5451 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5452 | - <ReducedLatticeParameters> 4.4454e+000 1.0927e+001 1.2400e+001 8.7202e+001 8.6420e+001 8.2893e+001 </ReducedLatticeParameters> | |
| 5453 | - <OptimizedLatticeParameters> 4.4454e+000 1.0927e+001 1.2400e+001 8.7202e+001 8.6420e+001 8.2893e+001 </OptimizedLatticeParameters> | |
| 5454 | - | |
| 5455 | - <VolumeOfUnitCell> 5.9600e+002 </VolumeOfUnitCell> | |
| 5456 | - <FigureOfMeritWolff name="M20"> 3.7507e+000 </FigureOfMeritWolff> | |
| 5457 | - <FigureOfMeritWu name="Mwu20"> 2.8598e+000 </FigureOfMeritWu> | |
| 5458 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8680e+000 </ReversedFigureOfMeritWolff> | |
| 5459 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.0064e+000 </SymmetricFigureOfMeritWolff> | |
| 5460 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5461 | - <NumberOfMillerIndicesInRange> 3.9000e+001 </NumberOfMillerIndicesInRange> | |
| 5462 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 5463 | - <NumberOfPeaksNecessaryToResolveDominantZone> 20 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5464 | - | |
| 5465 | - <NumberOfLatticesInNeighborhood> 5 </NumberOfLatticesInNeighborhood> | |
| 5466 | - | |
| 5467 | - <EquivalentLatticeCandidates> | |
| 5468 | - </EquivalentLatticeCandidates> | |
| 5469 | - | |
| 5470 | - </LatticeCandidate> | |
| 5471 | - | |
| 5472 | - <LatticeCandidate number="0103196"> | |
| 5473 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5474 | - | |
| 5475 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5476 | - <ReducedLatticeParameters> 8.6549e+000 1.2274e+001 2.0667e+001 1.0289e+002 1.0082e+002 9.3843e+001 </ReducedLatticeParameters> | |
| 5477 | - <OptimizedLatticeParameters> 8.6549e+000 1.2274e+001 2.0667e+001 1.0289e+002 1.0082e+002 9.3843e+001 </OptimizedLatticeParameters> | |
| 5478 | - | |
| 5479 | - <VolumeOfUnitCell> 2.0885e+003 </VolumeOfUnitCell> | |
| 5480 | - <FigureOfMeritWolff name="M20"> 3.7487e+000 </FigureOfMeritWolff> | |
| 5481 | - <FigureOfMeritWu name="Mwu20"> 3.7068e+000 </FigureOfMeritWu> | |
| 5482 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5370e+000 </ReversedFigureOfMeritWolff> | |
| 5483 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.7619e+000 </SymmetricFigureOfMeritWolff> | |
| 5484 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5485 | - <NumberOfMillerIndicesInRange> 1.1500e+002 </NumberOfMillerIndicesInRange> | |
| 5486 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 5487 | - <NumberOfPeaksNecessaryToResolveDominantZone> 7 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5488 | - | |
| 5489 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 5490 | - | |
| 5491 | - <EquivalentLatticeCandidates> | |
| 5492 | - <LatticeCandidate> | |
| 5493 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5494 | - <LatticeParameters> 1.7257e+001 1.0302e+001 2.0141e+001 9.0000e+001 1.0202e+002 9.0000e+001 </LatticeParameters> | |
| 5495 | - </LatticeCandidate> | |
| 5496 | - <LatticeCandidate> | |
| 5497 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5498 | - <LatticeParameters> 1.4589e+001 1.3673e+001 2.0791e+001 9.0000e+001 1.0864e+002 9.0000e+001 </LatticeParameters> | |
| 5499 | - </LatticeCandidate> | |
| 5500 | - <LatticeCandidate> | |
| 5501 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5502 | - <LatticeParameters> 8.6463e+000 3.9400e+001 1.1934e+001 9.0000e+001 9.3697e+001 9.0000e+001 </LatticeParameters> | |
| 5503 | - </LatticeCandidate> | |
| 5504 | - <LatticeCandidate> | |
| 5505 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5506 | - <LatticeParameters> 1.3684e+001 1.4581e+001 2.0606e+001 9.0000e+001 1.0705e+002 9.0000e+001 </LatticeParameters> | |
| 5507 | - </LatticeCandidate> | |
| 5508 | - <LatticeCandidate> | |
| 5509 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5510 | - <LatticeParameters> 1.2282e+001 3.9400e+001 8.4450e+000 9.0000e+001 9.4600e+001 9.0000e+001 </LatticeParameters> | |
| 5511 | - </LatticeCandidate> | |
| 5512 | - <LatticeCandidate> | |
| 5513 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5514 | - <LatticeParameters> 1.4522e+001 3.9400e+001 8.6484e+000 9.0000e+001 1.2254e+002 9.0000e+001 </LatticeParameters> | |
| 5515 | - </LatticeCandidate> | |
| 5516 | - </EquivalentLatticeCandidates> | |
| 5517 | - | |
| 5518 | - </LatticeCandidate> | |
| 5519 | - | |
| 5520 | - <LatticeCandidate number="01013054"> | |
| 5521 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5522 | - | |
| 5523 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5524 | - <ReducedLatticeParameters> 4.5702e+000 7.9038e+000 1.4776e+001 1.0301e+002 9.1337e+001 9.3449e+001 </ReducedLatticeParameters> | |
| 5525 | - <OptimizedLatticeParameters> 4.5702e+000 7.9038e+000 1.4776e+001 1.0301e+002 9.1337e+001 9.3449e+001 </OptimizedLatticeParameters> | |
| 5526 | - | |
| 5527 | - <VolumeOfUnitCell> 5.1872e+002 </VolumeOfUnitCell> | |
| 5528 | - <FigureOfMeritWolff name="M20"> 3.7446e+000 </FigureOfMeritWolff> | |
| 5529 | - <FigureOfMeritWu name="Mwu20"> 3.4997e+000 </FigureOfMeritWu> | |
| 5530 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8106e+000 </ReversedFigureOfMeritWolff> | |
| 5531 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.7798e+000 </SymmetricFigureOfMeritWolff> | |
| 5532 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5533 | - <NumberOfMillerIndicesInRange> 3.5000e+001 </NumberOfMillerIndicesInRange> | |
| 5534 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 5535 | - <NumberOfPeaksNecessaryToResolveDominantZone> 24 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5536 | - | |
| 5537 | - <NumberOfLatticesInNeighborhood> 12 </NumberOfLatticesInNeighborhood> | |
| 5538 | - | |
| 5539 | - <EquivalentLatticeCandidates> | |
| 5540 | - <LatticeCandidate> | |
| 5541 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5542 | - <LatticeParameters> 7.8733e+000 2.8786e+001 4.5726e+000 9.0000e+001 9.3451e+001 9.0000e+001 </LatticeParameters> | |
| 5543 | - </LatticeCandidate> | |
| 5544 | - <LatticeCandidate> | |
| 5545 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5546 | - <LatticeParameters> 4.5552e+000 2.8786e+001 7.5371e+000 9.0000e+001 9.5423e+001 9.0000e+001 </LatticeParameters> | |
| 5547 | - </LatticeCandidate> | |
| 5548 | - </EquivalentLatticeCandidates> | |
| 5549 | - | |
| 5550 | - </LatticeCandidate> | |
| 5551 | - | |
| 5552 | - <LatticeCandidate number="0109003"> | |
| 5553 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5554 | - | |
| 5555 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5556 | - <ReducedLatticeParameters> 6.0512e+000 9.3357e+000 1.4041e+001 9.2416e+001 9.0258e+001 9.9258e+001 </ReducedLatticeParameters> | |
| 5557 | - <OptimizedLatticeParameters> 6.0512e+000 9.3357e+000 1.4041e+001 9.2416e+001 9.0258e+001 9.9258e+001 </OptimizedLatticeParameters> | |
| 5558 | - | |
| 5559 | - <VolumeOfUnitCell> 7.8212e+002 </VolumeOfUnitCell> | |
| 5560 | - <FigureOfMeritWolff name="M20"> 3.7446e+000 </FigureOfMeritWolff> | |
| 5561 | - <FigureOfMeritWu name="Mwu20"> 3.9314e+000 </FigureOfMeritWu> | |
| 5562 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.4300e+000 </ReversedFigureOfMeritWolff> | |
| 5563 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.0995e+000 </SymmetricFigureOfMeritWolff> | |
| 5564 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5565 | - <NumberOfMillerIndicesInRange> 4.4000e+001 </NumberOfMillerIndicesInRange> | |
| 5566 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 5567 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5568 | - | |
| 5569 | - <NumberOfLatticesInNeighborhood> 3 </NumberOfLatticesInNeighborhood> | |
| 5570 | - | |
| 5571 | - <EquivalentLatticeCandidates> | |
| 5572 | - <LatticeCandidate> | |
| 5573 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5574 | - <LatticeParameters> 1.8428e+001 5.9701e+000 1.4041e+001 9.0000e+001 9.2490e+001 9.0000e+001 </LatticeParameters> | |
| 5575 | - </LatticeCandidate> | |
| 5576 | - </EquivalentLatticeCandidates> | |
| 5577 | - | |
| 5578 | - </LatticeCandidate> | |
| 5579 | - | |
| 5580 | - <LatticeCandidate number="0107669"> | |
| 5581 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5582 | - | |
| 5583 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5584 | - <ReducedLatticeParameters> 4.0661e+000 1.1892e+001 1.9798e+001 1.0541e+002 9.2360e+001 9.8673e+001 </ReducedLatticeParameters> | |
| 5585 | - <OptimizedLatticeParameters> 4.0661e+000 1.1892e+001 1.9798e+001 1.0541e+002 9.2360e+001 9.8673e+001 </OptimizedLatticeParameters> | |
| 5586 | - | |
| 5587 | - <VolumeOfUnitCell> 9.0907e+002 </VolumeOfUnitCell> | |
| 5588 | - <FigureOfMeritWolff name="M20"> 3.7430e+000 </FigureOfMeritWolff> | |
| 5589 | - <FigureOfMeritWu name="Mwu20"> 3.0262e+000 </FigureOfMeritWu> | |
| 5590 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4914e+000 </ReversedFigureOfMeritWolff> | |
| 5591 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.5825e+000 </SymmetricFigureOfMeritWolff> | |
| 5592 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5593 | - <NumberOfMillerIndicesInRange> 6.6000e+001 </NumberOfMillerIndicesInRange> | |
| 5594 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 5595 | - <NumberOfPeaksNecessaryToResolveDominantZone> 25 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5596 | - | |
| 5597 | - <NumberOfLatticesInNeighborhood> 12 </NumberOfLatticesInNeighborhood> | |
| 5598 | - | |
| 5599 | - <EquivalentLatticeCandidates> | |
| 5600 | - <LatticeCandidate> | |
| 5601 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5602 | - <LatticeParameters> 2.3527e+001 4.0624e+000 1.9800e+001 9.0000e+001 1.0605e+002 9.0000e+001 </LatticeParameters> | |
| 5603 | - </LatticeCandidate> | |
| 5604 | - <LatticeCandidate> | |
| 5605 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5606 | - <LatticeParameters> 1.1981e+001 3.8058e+001 4.0656e+000 9.0000e+001 1.0100e+002 9.0000e+001 </LatticeParameters> | |
| 5607 | - </LatticeCandidate> | |
| 5608 | - <LatticeCandidate> | |
| 5609 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5610 | - <LatticeParameters> 1.1890e+001 3.8058e+001 4.0497e+000 9.0000e+001 9.8446e+001 9.0000e+001 </LatticeParameters> | |
| 5611 | - </LatticeCandidate> | |
| 5612 | - </EquivalentLatticeCandidates> | |
| 5613 | - | |
| 5614 | - </LatticeCandidate> | |
| 5615 | - | |
| 5616 | - <LatticeCandidate number="0106859"> | |
| 5617 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5618 | - | |
| 5619 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5620 | - <ReducedLatticeParameters> 5.7709e+000 1.0835e+001 1.6462e+001 8.0703e+001 8.7712e+001 8.9310e+001 </ReducedLatticeParameters> | |
| 5621 | - <OptimizedLatticeParameters> 5.7709e+000 1.0835e+001 1.6462e+001 8.0703e+001 8.7712e+001 8.9310e+001 </OptimizedLatticeParameters> | |
| 5622 | - | |
| 5623 | - <VolumeOfUnitCell> 1.0150e+003 </VolumeOfUnitCell> | |
| 5624 | - <FigureOfMeritWolff name="M20"> 3.7429e+000 </FigureOfMeritWolff> | |
| 5625 | - <FigureOfMeritWu name="Mwu20"> 4.0845e+000 </FigureOfMeritWu> | |
| 5626 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1444e+000 </ReversedFigureOfMeritWolff> | |
| 5627 | - <SymmetricFigureOfMeritWolff name="Msym20"> 8.0263e+000 </SymmetricFigureOfMeritWolff> | |
| 5628 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5629 | - <NumberOfMillerIndicesInRange> 5.5000e+001 </NumberOfMillerIndicesInRange> | |
| 5630 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 5631 | - <NumberOfPeaksNecessaryToResolveDominantZone> 13 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5632 | - | |
| 5633 | - <NumberOfLatticesInNeighborhood> 7 </NumberOfLatticesInNeighborhood> | |
| 5634 | - | |
| 5635 | - <EquivalentLatticeCandidates> | |
| 5636 | - </EquivalentLatticeCandidates> | |
| 5637 | - | |
| 5638 | - </LatticeCandidate> | |
| 5639 | - | |
| 5640 | - <LatticeCandidate number="0104470"> | |
| 5641 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5642 | - | |
| 5643 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5644 | - <ReducedLatticeParameters> 4.2327e+000 7.5063e+000 4.7279e+001 8.7759e+001 8.8674e+001 7.9438e+001 </ReducedLatticeParameters> | |
| 5645 | - <OptimizedLatticeParameters> 4.2327e+000 7.5063e+000 4.7279e+001 8.7759e+001 8.8674e+001 7.9438e+001 </OptimizedLatticeParameters> | |
| 5646 | - | |
| 5647 | - <VolumeOfUnitCell> 1.4754e+003 </VolumeOfUnitCell> | |
| 5648 | - <FigureOfMeritWolff name="M20"> 3.7423e+000 </FigureOfMeritWolff> | |
| 5649 | - <FigureOfMeritWu name="Mwu20"> 4.0094e+000 </FigureOfMeritWu> | |
| 5650 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5061e+000 </ReversedFigureOfMeritWolff> | |
| 5651 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.6365e+000 </SymmetricFigureOfMeritWolff> | |
| 5652 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5653 | - <NumberOfMillerIndicesInRange> 1.0700e+002 </NumberOfMillerIndicesInRange> | |
| 5654 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 5655 | - <NumberOfPeaksNecessaryToResolveDominantZone> 24 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5656 | - | |
| 5657 | - <NumberOfLatticesInNeighborhood> 20 </NumberOfLatticesInNeighborhood> | |
| 5658 | - | |
| 5659 | - <EquivalentLatticeCandidates> | |
| 5660 | - <LatticeCandidate> | |
| 5661 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5662 | - <LatticeParameters> 1.4729e+001 4.2130e+000 4.7598e+001 9.0000e+001 9.6856e+001 9.0000e+001 </LatticeParameters> | |
| 5663 | - </LatticeCandidate> | |
| 5664 | - <LatticeCandidate> | |
| 5665 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5666 | - <LatticeParameters> 7.4868e+000 9.4515e+001 4.2346e+000 9.0000e+001 1.0065e+002 9.0000e+001 </LatticeParameters> | |
| 5667 | - </LatticeCandidate> | |
| 5668 | - <LatticeCandidate> | |
| 5669 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5670 | - <LatticeParameters> 4.2137e+000 1.4720e+001 4.7274e+001 9.0000e+001 9.1505e+001 9.0000e+001 </LatticeParameters> | |
| 5671 | - </LatticeCandidate> | |
| 5672 | - <LatticeCandidate> | |
| 5673 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5674 | - <LatticeParameters> 4.2337e+000 9.4515e+001 7.4892e+000 9.0000e+001 1.0067e+002 9.0000e+001 </LatticeParameters> | |
| 5675 | - </LatticeCandidate> | |
| 5676 | - </EquivalentLatticeCandidates> | |
| 5677 | - | |
| 5678 | - </LatticeCandidate> | |
| 5679 | - | |
| 5680 | - <LatticeCandidate number="01011252"> | |
| 5681 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5682 | - | |
| 5683 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5684 | - <ReducedLatticeParameters> 3.7693e+000 9.6445e+000 1.7055e+001 8.1334e+001 8.8021e+001 8.8442e+001 </ReducedLatticeParameters> | |
| 5685 | - <OptimizedLatticeParameters> 3.7693e+000 9.6445e+000 1.7055e+001 8.1334e+001 8.8021e+001 8.8442e+001 </OptimizedLatticeParameters> | |
| 5686 | - | |
| 5687 | - <VolumeOfUnitCell> 6.1239e+002 </VolumeOfUnitCell> | |
| 5688 | - <FigureOfMeritWolff name="M20"> 3.7337e+000 </FigureOfMeritWolff> | |
| 5689 | - <FigureOfMeritWu name="Mwu20"> 3.7282e+000 </FigureOfMeritWu> | |
| 5690 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.1000e+000 </ReversedFigureOfMeritWolff> | |
| 5691 | - <SymmetricFigureOfMeritWolff name="Msym20"> 7.8408e+000 </SymmetricFigureOfMeritWolff> | |
| 5692 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5693 | - <NumberOfMillerIndicesInRange> 4.4000e+001 </NumberOfMillerIndicesInRange> | |
| 5694 | - <NumberOfIndexedPeaks> 19 </NumberOfIndexedPeaks> | |
| 5695 | - <NumberOfPeaksNecessaryToResolveDominantZone> 33 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5696 | - | |
| 5697 | - <NumberOfLatticesInNeighborhood> 11 </NumberOfLatticesInNeighborhood> | |
| 5698 | - | |
| 5699 | - <EquivalentLatticeCandidates> | |
| 5700 | - </EquivalentLatticeCandidates> | |
| 5701 | - | |
| 5702 | - </LatticeCandidate> | |
| 5703 | - | |
| 5704 | - <LatticeCandidate number="01017600"> | |
| 5705 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5706 | - | |
| 5707 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5708 | - <ReducedLatticeParameters> 4.3475e+000 7.0818e+000 1.2038e+001 7.8150e+001 8.8104e+001 7.5883e+001 </ReducedLatticeParameters> | |
| 5709 | - <OptimizedLatticeParameters> 4.3475e+000 7.0818e+000 1.2038e+001 1.0185e+002 8.8104e+001 1.0412e+002 </OptimizedLatticeParameters> | |
| 5710 | - | |
| 5711 | - <VolumeOfUnitCell> 3.5172e+002 </VolumeOfUnitCell> | |
| 5712 | - <FigureOfMeritWolff name="M20"> 3.7316e+000 </FigureOfMeritWolff> | |
| 5713 | - <FigureOfMeritWu name="Mwu20"> 3.3906e+000 </FigureOfMeritWu> | |
| 5714 | - <ReversedFigureOfMeritWolff name="Mrev20"> 2.6096e+000 </ReversedFigureOfMeritWolff> | |
| 5715 | - <SymmetricFigureOfMeritWolff name="Msym20"> 9.7378e+000 </SymmetricFigureOfMeritWolff> | |
| 5716 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5717 | - <NumberOfMillerIndicesInRange> 2.6000e+001 </NumberOfMillerIndicesInRange> | |
| 5718 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 5719 | - <NumberOfPeaksNecessaryToResolveDominantZone> 24 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5720 | - | |
| 5721 | - <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood> | |
| 5722 | - | |
| 5723 | - <EquivalentLatticeCandidates> | |
| 5724 | - </EquivalentLatticeCandidates> | |
| 5725 | - | |
| 5726 | - </LatticeCandidate> | |
| 5727 | - | |
| 5728 | - <LatticeCandidate number="0108961"> | |
| 5729 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5730 | - | |
| 5731 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5732 | - <ReducedLatticeParameters> 4.8894e+000 1.0181e+001 1.6414e+001 7.9332e+001 8.2166e+001 7.9552e+001 </ReducedLatticeParameters> | |
| 5733 | - <OptimizedLatticeParameters> 4.8894e+000 1.0181e+001 1.6414e+001 7.9332e+001 8.2166e+001 7.9552e+001 </OptimizedLatticeParameters> | |
| 5734 | - | |
| 5735 | - <VolumeOfUnitCell> 7.8517e+002 </VolumeOfUnitCell> | |
| 5736 | - <FigureOfMeritWolff name="M20"> 3.7294e+000 </FigureOfMeritWolff> | |
| 5737 | - <FigureOfMeritWu name="Mwu20"> 2.9855e+000 </FigureOfMeritWu> | |
| 5738 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.6672e+000 </ReversedFigureOfMeritWolff> | |
| 5739 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.2174e+000 </SymmetricFigureOfMeritWolff> | |
| 5740 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5741 | - <NumberOfMillerIndicesInRange> 4.8000e+001 </NumberOfMillerIndicesInRange> | |
| 5742 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 5743 | - <NumberOfPeaksNecessaryToResolveDominantZone> 16 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5744 | - | |
| 5745 | - <NumberOfLatticesInNeighborhood> 8 </NumberOfLatticesInNeighborhood> | |
| 5746 | - | |
| 5747 | - <EquivalentLatticeCandidates> | |
| 5748 | - <LatticeCandidate> | |
| 5749 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5750 | - <LatticeParameters> 2.0018e+001 4.8802e+000 1.7631e+001 9.0000e+001 1.1460e+002 9.0000e+001 </LatticeParameters> | |
| 5751 | - </LatticeCandidate> | |
| 5752 | - </EquivalentLatticeCandidates> | |
| 5753 | - | |
| 5754 | - </LatticeCandidate> | |
| 5755 | - | |
| 5756 | - <LatticeCandidate number="0106939"> | |
| 5757 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5758 | - | |
| 5759 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5760 | - <ReducedLatticeParameters> 4.3455e+000 7.2535e+000 3.3039e+001 8.4600e+001 8.9377e+001 7.5455e+001 </ReducedLatticeParameters> | |
| 5761 | - <OptimizedLatticeParameters> 4.3455e+000 7.2535e+000 3.3039e+001 9.5400e+001 8.9377e+001 1.0454e+002 </OptimizedLatticeParameters> | |
| 5762 | - | |
| 5763 | - <VolumeOfUnitCell> 1.0035e+003 </VolumeOfUnitCell> | |
| 5764 | - <FigureOfMeritWolff name="M20"> 3.7238e+000 </FigureOfMeritWolff> | |
| 5765 | - <FigureOfMeritWu name="Mwu20"> 3.1832e+000 </FigureOfMeritWu> | |
| 5766 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.5460e+000 </ReversedFigureOfMeritWolff> | |
| 5767 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.7570e+000 </SymmetricFigureOfMeritWolff> | |
| 5768 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5769 | - <NumberOfMillerIndicesInRange> 6.9000e+001 </NumberOfMillerIndicesInRange> | |
| 5770 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 5771 | - <NumberOfPeaksNecessaryToResolveDominantZone> 22 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5772 | - | |
| 5773 | - <NumberOfLatticesInNeighborhood> 1 </NumberOfLatticesInNeighborhood> | |
| 5774 | - | |
| 5775 | - <EquivalentLatticeCandidates> | |
| 5776 | - <LatticeCandidate> | |
| 5777 | - <CrystalSystem> Rhombohedral </CrystalSystem> | |
| 5778 | - <LatticeParameters> 5.8856e+000 5.8856e+000 9.8881e+001 9.0000e+001 9.0000e+001 1.2000e+002 </LatticeParameters> | |
| 5779 | - </LatticeCandidate> | |
| 5780 | - <LatticeCandidate> | |
| 5781 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5782 | - <LatticeParameters> 8.1727e+000 6.5205e+000 3.3074e+001 9.0000e+001 9.4756e+001 9.0000e+001 </LatticeParameters> | |
| 5783 | - </LatticeCandidate> | |
| 5784 | - <LatticeCandidate> | |
| 5785 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5786 | - <LatticeParameters> 1.4048e+001 4.3356e+000 3.3108e+001 9.0000e+001 9.5422e+001 9.0000e+001 </LatticeParameters> | |
| 5787 | - </LatticeCandidate> | |
| 5788 | - <LatticeCandidate> | |
| 5789 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5790 | - <LatticeParameters> 7.4595e+000 6.5921e+001 4.3365e+000 9.0000e+001 1.0969e+002 9.0000e+001 </LatticeParameters> | |
| 5791 | - </LatticeCandidate> | |
| 5792 | - <LatticeCandidate> | |
| 5793 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5794 | - <LatticeParameters> 7.2553e+000 6.5921e+001 4.3407e+000 9.0000e+001 1.0452e+002 9.0000e+001 </LatticeParameters> | |
| 5795 | - </LatticeCandidate> | |
| 5796 | - <LatticeCandidate> | |
| 5797 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5798 | - <LatticeParameters> 4.3360e+000 1.3951e+001 3.3004e+001 9.0000e+001 9.2965e+001 9.0000e+001 </LatticeParameters> | |
| 5799 | - </LatticeCandidate> | |
| 5800 | - <LatticeCandidate> | |
| 5801 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5802 | - <LatticeParameters> 6.5267e+000 8.1660e+000 3.3011e+001 9.0000e+001 9.3183e+001 9.0000e+001 </LatticeParameters> | |
| 5803 | - </LatticeCandidate> | |
| 5804 | - <LatticeCandidate> | |
| 5805 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5806 | - <LatticeParameters> 4.3406e+000 6.5921e+001 7.2133e+000 9.0000e+001 1.0476e+002 9.0000e+001 </LatticeParameters> | |
| 5807 | - </LatticeCandidate> | |
| 5808 | - </EquivalentLatticeCandidates> | |
| 5809 | - | |
| 5810 | - </LatticeCandidate> | |
| 5811 | - | |
| 5812 | - <LatticeCandidate number="0103669"> | |
| 5813 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5814 | - | |
| 5815 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5816 | - <ReducedLatticeParameters> 8.7357e+000 9.9570e+000 2.1497e+001 7.8621e+001 8.2127e+001 8.2390e+001 </ReducedLatticeParameters> | |
| 5817 | - <OptimizedLatticeParameters> 8.7357e+000 9.9570e+000 2.1497e+001 7.8621e+001 8.2127e+001 8.2390e+001 </OptimizedLatticeParameters> | |
| 5818 | - | |
| 5819 | - <VolumeOfUnitCell> 1.8051e+003 </VolumeOfUnitCell> | |
| 5820 | - <FigureOfMeritWolff name="M20"> 3.7213e+000 </FigureOfMeritWolff> | |
| 5821 | - <FigureOfMeritWu name="Mwu20"> 3.5771e+000 </FigureOfMeritWu> | |
| 5822 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.3226e+000 </ReversedFigureOfMeritWolff> | |
| 5823 | - <SymmetricFigureOfMeritWolff name="Msym20"> 4.9217e+000 </SymmetricFigureOfMeritWolff> | |
| 5824 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5825 | - <NumberOfMillerIndicesInRange> 1.0000e+002 </NumberOfMillerIndicesInRange> | |
| 5826 | - <NumberOfIndexedPeaks> 20 </NumberOfIndexedPeaks> | |
| 5827 | - <NumberOfPeaksNecessaryToResolveDominantZone> 8 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5828 | - | |
| 5829 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 5830 | - | |
| 5831 | - <EquivalentLatticeCandidates> | |
| 5832 | - <LatticeCandidate> | |
| 5833 | - <CrystalSystem> Orthorhombic(F) </CrystalSystem> | |
| 5834 | - <LatticeParameters> 1.2242e+001 1.3871e+001 4.1890e+001 9.0000e+001 9.0000e+001 9.0000e+001 </LatticeParameters> | |
| 5835 | - </LatticeCandidate> | |
| 5836 | - <LatticeCandidate> | |
| 5837 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5838 | - <LatticeParameters> 1.9727e+001 8.3449e+000 2.1788e+001 9.0000e+001 1.0599e+002 9.0000e+001 </LatticeParameters> | |
| 5839 | - </LatticeCandidate> | |
| 5840 | - <LatticeCandidate> | |
| 5841 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5842 | - <LatticeParameters> 9.9426e+000 4.1890e+001 8.6895e+000 9.0000e+001 9.7794e+001 9.0000e+001 </LatticeParameters> | |
| 5843 | - </LatticeCandidate> | |
| 5844 | - <LatticeCandidate> | |
| 5845 | - <CrystalSystem> Monoclinic(B) </CrystalSystem> | |
| 5846 | - <LatticeParameters> 1.2351e+001 4.1890e+001 8.6961e+000 9.0000e+001 1.2710e+002 9.0000e+001 </LatticeParameters> | |
| 5847 | - </LatticeCandidate> | |
| 5848 | - </EquivalentLatticeCandidates> | |
| 5849 | - | |
| 5850 | - </LatticeCandidate> | |
| 5851 | - | |
| 5852 | - <LatticeCandidate number="0108382"> | |
| 5853 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5854 | - | |
| 5855 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5856 | - <ReducedLatticeParameters> 5.9387e+000 8.5938e+000 1.6451e+001 9.5136e+001 9.0664e+001 9.3222e+001 </ReducedLatticeParameters> | |
| 5857 | - <OptimizedLatticeParameters> 5.9387e+000 8.5938e+000 1.6451e+001 9.5136e+001 9.0664e+001 9.3222e+001 </OptimizedLatticeParameters> | |
| 5858 | - | |
| 5859 | - <VolumeOfUnitCell> 8.3480e+002 </VolumeOfUnitCell> | |
| 5860 | - <FigureOfMeritWolff name="M20"> 3.7173e+000 </FigureOfMeritWolff> | |
| 5861 | - <FigureOfMeritWu name="Mwu20"> 2.7465e+000 </FigureOfMeritWu> | |
| 5862 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.8026e+000 </ReversedFigureOfMeritWolff> | |
| 5863 | - <SymmetricFigureOfMeritWolff name="Msym20"> 6.7007e+000 </SymmetricFigureOfMeritWolff> | |
| 5864 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5865 | - <NumberOfMillerIndicesInRange> 4.0000e+001 </NumberOfMillerIndicesInRange> | |
| 5866 | - <NumberOfIndexedPeaks> 18 </NumberOfIndexedPeaks> | |
| 5867 | - <NumberOfPeaksNecessaryToResolveDominantZone> 14 </NumberOfPeaksNecessaryToResolveDominantZone> | |
| 5868 | - | |
| 5869 | - <NumberOfLatticesInNeighborhood> 0 </NumberOfLatticesInNeighborhood> | |
| 5870 | - | |
| 5871 | - <EquivalentLatticeCandidates> | |
| 5872 | - </EquivalentLatticeCandidates> | |
| 5873 | - | |
| 5874 | - </LatticeCandidate> | |
| 5875 | - | |
| 5876 | - <LatticeCandidate number="0108020"> | |
| 5877 | - <CrystalSystem> Triclinic </CrystalSystem> | |
| 5878 | - | |
| 5879 | - <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)--> | |
| 5880 | - <ReducedLatticeParameters> 4.1307e+000 9.9598e+000 2.1849e+001 9.8153e+001 9.2902e+001 9.9466e+001 </ReducedLatticeParameters> | |
| 5881 | - <OptimizedLatticeParameters> 4.1307e+000 9.9598e+000 2.1849e+001 9.8153e+001 9.2902e+001 9.9466e+001 </OptimizedLatticeParameters> | |
| 5882 | - | |
| 5883 | - <VolumeOfUnitCell> 8.7516e+002 </VolumeOfUnitCell> | |
| 5884 | - <FigureOfMeritWolff name="M20"> 3.7146e+000 </FigureOfMeritWolff> | |
| 5885 | - <FigureOfMeritWu name="Mwu20"> 3.6575e+000 </FigureOfMeritWu> | |
| 5886 | - <ReversedFigureOfMeritWolff name="Mrev20"> 1.4939e+000 </ReversedFigureOfMeritWolff> | |
| 5887 | - <SymmetricFigureOfMeritWolff name="Msym20"> 5.5494e+000 </SymmetricFigureOfMeritWolff> | |
| 5888 | - <!-- Number of reflections up to the 20th reflection. (The multiplicity of peaks is considered.)--> | |
| 5889 | - <NumberOfMillerIndicesInRange> |
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