1data_SSY 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 5.2580(0) 18_cell_length_b 22.5790(0) 19_cell_length_c 13.9770(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 'P m m n' 25_symmetry_Int_Tables_number 59 26_space_group.IT_coordinate_system_code '2' 27_symmetry_cell_setting orthorhombic 28 29loop_ 30_symmetry_equiv_pos_as_xyz 31'+x,+y,+z' 32'1/2-x,+y,+z' 33'+x,1/2-y,+z' 34'1/2-x,1/2-y,+z' 35'-x,-y,-z' 36'1/2+x,-y,-z' 37'-x,1/2+y,-z' 38'1/2+x,1/2+y,-z' 39 40loop_ 41_atom_site_label 42_atom_site_type_symbol 43_atom_site_fract_x 44_atom_site_fract_y 45_atom_site_fract_z 46 O1 O 0.7500 0.8081 0.2104 47 O2 O 0.0000 0.7500 0.0774 48 O3 O 0.2500 0.6917 0.9448 49 O4 O 0.7500 0.6085 0.3407 50 O5 O 0.0000 0.5925 0.1803 51 O6 O 0.7500 0.5664 0.5176 52 O7 O 0.9999 0.5117 0.3801 53 O8 O 0.7500 0.4161 0.9815 54 O9 O 0.5000 0.3938 0.1401 55 O10 O 0.2500 0.4270 0.2930 56 O11 O 0.2500 0.4948 0.1393 57 T1 Si 0.7500 0.7500 0.1437 58 T2 Si 0.2500 0.7500 0.0111 59 T3 Si 0.7500 0.6214 0.2273 60 T4 Si 0.7500 0.5496 0.4057 61 T5 Si 0.7500 0.3780 0.0787 62 T6 Si 0.2500 0.4707 0.3840 63 T7 Si 0.2500 0.4276 0.1778 64 T8 Si 0.2500 0.5658 0.1299 65 66