#********************************************************************************* # # Crystallographic Information File for PST-30 # # Reference : # Jo, D. and Hong, S.B. # Angew. Chem. Int. Ed., 58, 13845-13848, (2019) # # # CIF downloaded from the IZA-SC Database of Zeolite Structures # Ch. Baerlocher and L.B. McCusker, # Database of Zeolite Structures: http://www.iza-structure.org/databases/ # #********************************************************************************** data_PST-30 _chemical_name_systematic 'PST-30' _cell_length_a 7.1348 _cell_length_b 9.1207 _cell_length_c 9.1051 _cell_angle_alpha 84.28 _cell_angle_beta 83.35 _cell_angle_gamma 87.83 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'P-1' _symmetry_space_group_name_H-M 'P-1' _symmetry_space_group_name_Hall '' _space_group.IT_number loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_B_iso_or_equiv _atom_site_occupancy Si1 Si 0.6502 0.3462 0.1505 1.81 1 Si2 Si 0.2394 0.3913 0.0903 1.81 1 Si3 Si 0.0388 0.8254 0.0153 1.81 1 Si4 Si 0.0467 0.6211 0.3026 1.81 1 Si5 Si 0.2894 0.5522 0.5513 1.81 1 O1 O 0.7101 0.3438 0.3157 2.62 1 O2 O 0.7072 0.5021 0.059 2.62 1 O3 O 0.758 0.2137 0.0692 2.62 1 O4 O 0.1138 0.4831 0.2098 2.62 1 O5 O 0.1217 0.2551 0.0542 2.62 1 O6 O 0.0338 0.7674 0.1895 2.62 1 O7 O 0.1593 0.4115 0.6087 2.62 1 O8 O 0.197 0.6432 0.4158 2.62 1 O9 O 0.4272 0.3285 0.1584 2.62 1 O10 O 0 0 0 2.62 1 O11 O 0.5 0.5 0.5 2.62 1 Ow1 O 0.4763 0.9257 0.2286 6.3 0.572 Ow2 O 0.0894 0.0481 0.4235 6.3 0.416 Ow3 O 0.3467 0.001 0.5332 6.3 0.554 # End of data for PST-30