1data_UTL 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 28.9960(0) 18_cell_length_b 13.9680(0) 19_cell_length_c 12.4490(0) 20_cell_angle_alpha 90.0000(0) 21_cell_angle_beta 104.9100(0) 22_cell_angle_gamma 90.0000(0) 23 24_symmetry_space_group_name_H-M 'C 2/m' 25_symmetry_Int_Tables_number 12 26_symmetry_cell_setting monoclinic 27 28loop_ 29_symmetry_equiv_pos_as_xyz 30'+x,+y,+z' 31'1/2+x,1/2+y,+z' 32'-x,+y,-z' 33'1/2-x,1/2+y,-z' 34'-x,-y,-z' 35'1/2-x,1/2-y,-z' 36'+x,-y,+z' 37'1/2+x,1/2-y,+z' 38 39loop_ 40_atom_site_label 41_atom_site_type_symbol 42_atom_site_fract_x 43_atom_site_fract_y 44_atom_site_fract_z 45 O1 O 0.4194 0.6797 0.7411 46 O2 O 0.5076 0.6290 0.8415 47 O3 O 0.4394 0.5000 0.7988 48 O4 O 0.4414 0.6310 0.9514 49 O5 O 0.4023 0.6809 0.1112 50 O6 O 0.4252 0.5000 0.0890 51 O7 O 0.2173 0.0000 0.8244 52 O8 O 0.2957 0.9060 0.8355 53 O9 O 0.2546 0.0000 0.6512 54 O10 O 0.1941 0.4048 0.7853 55 O11 O 0.2708 0.5000 0.7776 56 O12 O 0.2418 0.5000 0.9608 57 O13 O 0.2736 0.5000 0.5664 58 O14 O 0.3379 0.4062 0.7161 59 O15 O 0.1967 0.4055 0.4670 60 O16 O 0.3288 0.7254 0.1919 61 O17 O 0.2401 0.7693 0.1902 62 O18 O 0.3085 0.7830 0.3751 63 O19 O 0.3434 0.7376 0.5837 64 O20 O 0.2500 0.7500 0.5000 65 O21 O 0.3479 0.7670 0.7951 66 O22 O 0.3281 0.7753 0.9881 67 O23 O 0.3212 0.5943 0.0364 68 T1 Si 0.4521 0.6099 0.8330 69 T2 Si 0.4401 0.6099 0.0777 70 T3 Si 0.2954 0.7954 0.2422 71 T4 Si 0.3010 0.7941 0.4982 72 T5 Si 0.3072 0.7938 0.8569 73 T6 Si 0.3453 0.6950 0.0827 74 T7 Si 0.3624 0.6957 0.7076 75 T8 Si 0.2660 0.0000 0.7847 76 T9 Si 0.2247 0.5000 0.8270 77 T10 Si 0.3046 0.5000 0.6936 78 T11 Si 0.2278 0.5000 0.4612 79 T12 Si 0.2921 0.5000 0.0536 80 81