#********************************************************************************* # # Crystallographic Information File for SSZ-82 # # Reference : # Xie, D., McCusker, L.B. and Baerlocher, Ch. # J. Am. Chem. Soc., 133, 20604-20610, (2011) # # # 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_SSZ-82 _chemical_name_systematic 'SSZ-82' _cell_length_a 24.2783 _cell_length_b 11.4665 _cell_length_c 14.1127 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'P m m n' _symmetry_space_group_name_H-M 'P m m n' _symmetry_space_group_name_Hall '-P 2ab 2a' _space_group.IT_number 59 _space_group.IT_coordinate_system_code '2' 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 0.75 0.25 0.0158 0.69 1 Si2 Si 0.25 0.3864 0.1081 0.69 1 Si3 Si 0.3157 0.75 0.3248 0.69 1 Si4 Si 0.4311 0.5281 0.1025 0.69 1 Si5 Si 0.3565 0.3862 0.2291 0.69 1 Si6 Si 0.75 0.4987 0.0959 0.69 1 Si7 Si 0.5513 0.6131 0.0871 0.69 1 Si8 Si 0.3584 0.75 0.1131 0.69 1 Si9 Si 0.6539 0.6156 0.2102 0.69 1 Si10 Si 0.3167 0.5061 0.4078 0.69 0.75 Si11 Si 0.6854 0.6195 0.4139 0.69 0.66 B1 B 0.3167 0.5061 0.4078 0.69 0.25 B2 B 0.6854 0.6195 0.4139 0.69 0.34 O1 O 0.75 0.3604 0.0851 1.67 1 O2 O 0.8026 0.25 0.9473 1.67 1 O3 O 0.3042 0.4226 0.1661 1.67 1 O4 O 0.25 0.457 0.0112 1.67 1 O5 O 0.25 0.25 0.0825 1.67 1 O6 O 0.3351 0.864 0.3832 1.67 1 O7 O 0.3474 0.75 0.225 1.67 1 O8 O 0.25 0.75 0.3042 1.67 1 O9 O 0.4095 0.4537 0.1911 1.67 1 O10 O 0.4927 0.5696 0.1247 1.67 1 O11 O 0.4286 0.4553 0.0006 1.67 1 O12 O 0.393 0.6383 0.0845 1.67 1 O13 O 0.3491 0.4224 0.3378 1.67 1 O14 O 0.3696 0.25 0.222 1.67 1 O15 O 0.8043 0.534 0.1533 1.67 1 O16 O 0.5942 0.5856 0.17 1.67 1 O17 O 0.5491 0.75 0.0632 1.67 1 O18 O 0.6523 0.5821 0.3213 1.67 1 O19 O 0.6691 0.75 0.1909 1.67 1 O20 O 0.3391 0.4685 0.5096 1.67 1 O21 O 0.25 0.4933 0.4007 1.67 1 O22 O 0.6649 0.75 0.4345 1.67 1 O23 O 0.75 0.5938 0.4007 1.67 1 Ow1 O 0.517 0.61 0.381 6.32 0.74 Ow2 O 0.75 0.25 0.363 6.32 0.67 Ow3 O 0.978 0.126 0.34 6.32 0.66 Ow4 O 0.625 0.25 0.355 6.32 0.74 # End of data for SSZ-82