1data_SBE 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 18.5340(0) 18_cell_length_b 18.5340(0) 19_cell_length_c 27.1340(0) 20_cell_angle_alpha 90.0000(0) 21_cell_angle_beta 90.0000(0) 22_cell_angle_gamma 90.0000(0) 23 24_symmetry_space_group_name_H-M 'I 4/m m m' 25_symmetry_Int_Tables_number 139 26_symmetry_cell_setting tetragonal 27 28loop_ 29_symmetry_equiv_pos_as_xyz 30'+x,+y,+z' 31'1/2+x,1/2+y,1/2+z' 32'-y,+x,+z' 33'1/2-y,1/2+x,1/2+z' 34'-x,-y,+z' 35'1/2-x,1/2-y,1/2+z' 36'+y,-x,+z' 37'1/2+y,1/2-x,1/2+z' 38'-x,+y,+z' 39'1/2-x,1/2+y,1/2+z' 40'+y,+x,+z' 41'1/2+y,1/2+x,1/2+z' 42'+x,-y,+z' 43'1/2+x,1/2-y,1/2+z' 44'-y,-x,+z' 45'1/2-y,1/2-x,1/2+z' 46'-x,-y,-z' 47'1/2-x,1/2-y,1/2-z' 48'+y,-x,-z' 49'1/2+y,1/2-x,1/2-z' 50'+x,+y,-z' 51'1/2+x,1/2+y,1/2-z' 52'-y,+x,-z' 53'1/2-y,1/2+x,1/2-z' 54'+x,-y,-z' 55'1/2+x,1/2-y,1/2-z' 56'-y,-x,-z' 57'1/2-y,1/2-x,1/2-z' 58'-x,+y,-z' 59'1/2-x,1/2+y,1/2-z' 60'+y,+x,-z' 61'1/2+y,1/2+x,1/2-z' 62 63loop_ 64_atom_site_label 65_atom_site_type_symbol 66_atom_site_fract_x 67_atom_site_fract_y 68_atom_site_fract_z 69 O1 O 0.2682 0.6024 0.1851 70 O2 O 0.2353 0.5959 0.2793 71 O3 O 0.3232 0.5000 0.2406 72 O4 O 0.3659 0.6341 0.2521 73 O5 O 0.0979 0.2688 0.4083 74 O6 O 0.1348 0.1348 0.4277 75 O7 O 0.0000 0.1760 0.4385 76 O8 O 0.0992 0.2224 0.5000 77 O9 O 0.3181 0.0000 0.3468 78 O10 O 0.3647 0.1335 0.3410 79 O11 O 0.3574 0.0000 0.1878 80 O12 O 0.3999 0.1001 0.2500 81 T1 Si 0.2982 0.5832 0.2393 82 T2 Si 0.0830 0.2005 0.4437 83 T3 Si 0.2958 0.0835 0.3528 84 T4 Si 0.3471 0.0828 0.2044 85 86