source: Examples/Indexing/triclinic/NBS25-16p92.txt @ 325

Last change on this file since 325 was 325, checked in by vondreele, 10 years ago
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1#/*
2#a = 8.792(4), b = 15.949(8), c = 7.091(6)
3#alpha = 95.73(1), beta = 94.10(1), gamma = 87.57(1)
4#a/b = 0.5513, c/b = 0.4446
5#(published values: a = 879.1(4) pm, b = 1594.8(8), c = 709.1(6),
6#alpha = 95.73(1), beta = 94.10(1), gamma = 87.57(1) [Petcher et al., 1974])
7#Volume 986.2 A3
8#   NBS Monograph 25.16 P.92 280889
9#   A =  7.085807  ALFA  = 63.013237
10#   B =  8.787556  BETA  = 86.963554
11#   C = 17.870726  GAMMA = 94.134857
12#   UNIT CELL VOLUME =    984.40 A**3
13#*/
14#
15#index_lam 1.540596
16#index_zero_error     
17#try_space_groups 2
18#
19#'#define DO_DETAILS ' uncomment this line to reprocess the following solutions
20##ifdef DO_DETAILS
21#       Indexing_Solutions_With_Zero_Error_2 {
22#         50) P-1        1   0    2064.788     9.74   0.0000    18.7159    10.2326    13.0031    101.390     58.699    102.795 ' ===  22  19  19  17  16  15
23#         51) P-1        3   0    3128.349     9.61   0.0115    14.8861    13.6502    20.4457     83.369     50.954     76.089 ' ===  17  19  22  15  15  16
24#       }
25##endif
26#
27#load index_d {
28   15.83 good
29    8.75
30    7.91
31    7.78
32    7.56
33    7.03
34    6.67
35    6.21
36    5.77
37    5.53
38    5.29
39    5.02
40    4.96
41    4.85
42    4.52
43    4.454
44    4.410
45    4.312
46    4.263
47    4.184
48    4.081
49    4.044
50    3.962
51    3.890
52    3.844
53#}
54
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