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Contents of /BLDConograph_ver1/trunk/sample/sample6(Monoclinic(C);14,11.8,20.9,90,101,90)/output/Acrinol-B-D8CuKa1.out.xml

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Revision 32 - (show annotations) (download) (as text)
Sat Aug 6 01:34:09 2016 UTC (7 years, 7 months ago) by rtomiyasu
File MIME type: application/xml
File size: 3891 byte(s)
Monoclinic(B) -> Monoclinic(C)
1 <?xml version="1.0" encoding="UTF-8"?>
2 <ZCodeParameters>
3 <BLDConographOutput>
4 <!-- Bravais lattice with minimal distance.
5 (The distance between two unit cells is computed by
6 Trace((S-T)^2) := \sum_{1 <= i,j <= 3} (sij-tij)^2
7 using the Delone-reduced metric tensors S := (sij) and T := (tij) of their reciprocal lattices.)
8
9 CentringType NumberOfSolusions DistanceFromInputUnitCell : unit-cell parameters.
10 Cubic(F) 0
11 Cubic(I) 0
12 Cubic(P) 0
13 Hexagonal 0
14 Rhombohedral 0
15 Tetragonal(I) 0
16 Tetragonal(P) 0
17 Orthorhombic(F) 1 3.8200e-02 : 1.1792e+01 1.3878e+01 4.1139e+01 9.0000e+01 9.0000e+01 9.0000e+01
18 Orthorhombic(I) 0
19 Orthorhombic(C) 0
20 Orthorhombic(P) 0
21 Monoclinic(C) 4 5.0505e-03 : 1.4031e+01 1.1792e+01 2.0946e+01 9.0000e+01 1.0088e+02 9.0000e+01
22 Monoclinic(P) 1 1.3429e-01 : 9.0621e+00 2.0570e+01 9.0736e+00 9.0000e+01 9.8889e+01 9.0000e+01
23
24 -->
25
26
27 <!-- Candidates for Cubic(F) -->
28
29
30
31 <!-- Candidates for Cubic(I) -->
32
33
34
35 <!-- Candidates for Cubic(P) -->
36
37
38
39 <!-- Candidates for Hexagonal -->
40
41
42
43 <!-- Candidates for Rhombohedral -->
44
45
46
47 <!-- Candidates for Tetragonal(I) -->
48
49
50
51 <!-- Candidates for Tetragonal(P) -->
52
53
54
55 <!-- Candidates for Orthorhombic(F) -->
56
57 <UnitCellCandidate number="0702">
58 <CrystalSystem> Orthorhombic(F) </CrystalSystem>
59
60 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
61 <UnitCellParameters> 1.1792e+01 1.3878e+01 4.1139e+01 9.0000e+01 9.0000e+01 9.0000e+01 </UnitCellParameters>
62 <DistanceFromInputUnitCell> 3.8200e-02 </DistanceFromInputUnitCell>
63 </UnitCellCandidate>
64
65
66
67 <!-- Candidates for Orthorhombic(I) -->
68
69
70
71 <!-- Candidates for Orthorhombic(C) -->
72
73
74
75 <!-- Candidates for Orthorhombic(P) -->
76
77
78
79 <!-- Candidates for Monoclinic(C) -->
80
81 <UnitCellCandidate number="0305">
82 <CrystalSystem> Monoclinic(C) </CrystalSystem>
83
84 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
85 <UnitCellParameters> 1.4031e+01 1.1792e+01 2.0946e+01 9.0000e+01 1.0088e+02 9.0000e+01 </UnitCellParameters>
86 <DistanceFromInputUnitCell> 5.0505e-03 </DistanceFromInputUnitCell>
87 </UnitCellCandidate>
88
89 <UnitCellCandidate number="0305">
90 <CrystalSystem> Monoclinic(C) </CrystalSystem>
91
92 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
93 <UnitCellParameters> 9.1460e+00 4.1139e+01 9.1046e+00 9.0000e+01 1.0046e+02 9.0000e+01 </UnitCellParameters>
94 <DistanceFromInputUnitCell> 3.6970e-02 </DistanceFromInputUnitCell>
95 </UnitCellCandidate>
96
97 <UnitCellCandidate number="0305">
98 <CrystalSystem> Monoclinic(C) </CrystalSystem>
99
100 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
101 <UnitCellParameters> 9.1305e+00 4.1139e+01 9.1169e+00 9.0000e+01 1.0049e+02 9.0000e+01 </UnitCellParameters>
102 <DistanceFromInputUnitCell> 3.7350e-02 </DistanceFromInputUnitCell>
103 </UnitCellCandidate>
104
105 <UnitCellCandidate number="0305">
106 <CrystalSystem> Monoclinic(C) </CrystalSystem>
107
108 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
109 <UnitCellParameters> 1.1792e+01 4.1139e+01 9.0975e+00 9.0000e+01 1.3029e+02 9.0000e+01 </UnitCellParameters>
110 <DistanceFromInputUnitCell> 3.8199e-02 </DistanceFromInputUnitCell>
111 </UnitCellCandidate>
112
113
114
115 <!-- Candidates for Monoclinic(P) -->
116
117 <UnitCellCandidate number="0202">
118 <CrystalSystem> Monoclinic(P) </CrystalSystem>
119
120 <!-- a, b, c(angstrom), alpha, beta, gamma(deg.)-->
121 <UnitCellParameters> 9.0621e+00 2.0570e+01 9.0736e+00 9.0000e+01 9.8889e+01 9.0000e+01 </UnitCellParameters>
122 <DistanceFromInputUnitCell> 1.3429e-01 </DistanceFromInputUnitCell>
123 </UnitCellCandidate>
124
125
126 </BLDConographOutput>
127 </ZCodeParameters>

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