#********************************************************************************* # # Crystallographic Information File for STA-20 # # Reference : # Turrina, A., Garcia, R., Watts, A.E., Greer, H.F., Bradley, J., Zhou, W., Cox, P.A., Shannon, M.D., Mayoral, A., Casci, J.L. and Wright, P.A. # Chem. Mater., 29, 2180-2190, (2017) # # # 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_STA-20 _chemical_name_systematic 'STA-20' _cell_length_a 13.15497 _cell_length_b 13.15497 _cell_length_c 30.5833 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'P -3 1 c' _symmetry_space_group_name_H-M 'P -3 1 c' _symmetry_space_group_name_Hall '-P 3 2c' _space_group.IT_number 163 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 P1 P 0.23862 0.23032 0.05157 0.46 0.95 Si1 Si 0.23862 0.23032 0.05157 0.46 0.05 P2 P 0.23733 0.23589 0.20008 0.46 0.95 Si2 Si 0.23733 0.23589 0.20008 0.46 0.05 P3 P 0.66699 0.57353 0.62448 0.46 0.95 Si3 Si 0.66699 0.57353 0.62448 0.46 0.05 Al1 Al 0.3319 0.419 0.12439 0.46 1 Al2 Al 0.2361 1.002 0.19875 0.46 1 Al3 Al 0.2317 0.992 0.05009 0.46 1 O1 O 0.3207 0.3343 0.07975 0.75 1 O2 O 0.3185 0.3409 0.1716 0.75 1 O3 O 0.6769 0.6414 0.5824 0.75 1 O4 O 0.6767 0.6491 0.66494 0.75 1 O5 O 0.2745 0.2646 0.0042 0.75 1 O6 O 0.1139 0.2003 0.0593 0.75 1 O7 O 0.2213 0.4542 0.1231 0.75 1 O8 O 0.1088 0.2002 0.1936 0.75 1 O9 O 0.2504 0.126 0.06392 0.75 1 O10 O 0.2499 0.1348 0.1842 0.75 1 O11 O 0.46628 0.5452 0.12401 0.75 1 O12 O 0.2781 0.2685 0.24729 0.75 1 # End of data for STA-20