1data_SFE
2#**************************************************************************
3#
4# CIF taken from the IZA-SC Database of Zeolite Structures
5# Ch. Baerlocher and L.B. McCusker
6# Database of Zeolite Structures: http://www.iza-structure.org/databases/
7#
8# All data on this site have been placed in the public domain.
9# If you use this work in a scientific publication, you are obligated to
10# cite its origin.
11#
12# The atom coordinates and the cell parameters were optimized with DLS76
13# assuming a pure SiO2 composition.
14#
15#**************************************************************************
16
17_cell_length_a                  11.4570(0)
18_cell_length_b                   5.2550(0)
19_cell_length_c                  13.9940(0)
20_cell_angle_alpha               90.0000(0)
21_cell_angle_beta               100.9600(0)
22_cell_angle_gamma               90.0000(0)
23
24_symmetry_space_group_name_H-M     'P 21/m'
25_symmetry_Int_Tables_number        11
26_symmetry_cell_setting             monoclinic
27
28loop_
29_symmetry_equiv_pos_as_xyz
30'+x,+y,+z'
31'-x,1/2+y,-z'
32'-x,-y,-z'
33'+x,1/2-y,+z'
34
35loop_
36_atom_site_label
37_atom_site_type_symbol
38_atom_site_fract_x
39_atom_site_fract_y
40_atom_site_fract_z
41    O1    O     0.2847    0.2500    0.3040
42    O2    O     0.3056    0.5000    0.1455
43    O3    O     0.1087    0.2500    0.1536
44    O4    O     0.3674    0.2500    0.4940
45    O5    O     0.4792    0.0000    0.3757
46    O6    O     0.3475    0.2500    0.6794
47    O7    O     0.6564    0.2500    0.0081
48    O8    O     0.4940    0.2500    0.8485
49    O9    O     0.2915    0.5001    0.8265
50   O10    O     0.8757    0.2500    0.1090
51   O11    O     0.0000    0.0000    0.0000
52    T1    Si    0.2512    0.2500    0.1869
53    T2    Si    0.4024    0.2500    0.3878
54    T3    Si    0.4387    0.2500    0.6049
55    T4    Si    0.6347    0.2500    0.8910
56    T5    Si    0.3564    0.2500    0.7957
57    T6    Si    0.7370    0.2500    0.1156
58    T7    Si    0.9958    0.2500    0.0653
59
60