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