1data_OSI 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 18.5060(0) 18_cell_length_b 18.5060(0) 19_cell_length_c 5.2680(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 0.1923 0.1923 0.5000 70 O2 O 0.3148 0.1852 0.7500 71 O3 O 0.2698 0.0715 0.5000 72 O4 O 0.1706 0.0000 0.2500 73 O5 O 0.0711 0.0711 0.0000 74 T1 Si 0.2726 0.1585 0.5000 75 T2 Si 0.1209 0.0000 0.0000 76 T3 Si 0.2204 0.0000 0.5000 77 78