#********************************************************************************* # # Crystallographic Information File for UCSB-8Co # # Reference : # Bu, X., Feng, P. and Stucky, G.D. # Science, 278, 2080-2085, (1997) # # # 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_UCSB-8Co _chemical_name_systematic 'UCSB-8Co' _cell_length_a 19.0654 _cell_length_b 19.0654 _cell_length_c 27.594 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'P 4/n n c' _symmetry_space_group_name_H-M 'P 4/n n c' _symmetry_space_group_name_Hall '-P 4a 2bc' _space_group.IT_number 126 _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 Al1 Al 0.4567 0.1672 0.5127 2.3 0.5 Co1 Co 0.4567 0.1672 0.5127 2.3 0.5 Al2 Al 0.3317 0.0477 0.8051 2.4 0.5 Co2 Co 0.3317 0.0477 0.8051 2.4 0.5 Al3 Al 0.3269 -0.0423 0.5995 2.3 0.5 Co3 Co 0.3269 -0.0423 0.5995 2.3 0.5 Al4 Al 0.4015 -0.1712 0.9551 2.4 0.5 Co4 Co 0.4015 -0.1712 0.9551 2.4 0.5 P1 P 0.3358 0.049 0.5055 2.6 1 P2 P 0.3335 0.0501 0.6916 2.1 1 P3 P 0.3381 -0.0486 0.8941 2.4 1 P4 P 0.3991 -0.1636 0.5484 2.4 1 O1 O 0.3443 0.0224 0.7421 3 1 O2 O 0.3817 0.1116 0.4947 4.8 1 O3 O 0.3797 -0.1151 0.9041 4.5 1 O4 O 0.3798 -0.1174 0.5918 3.9 1 O5 O 0.3495 -0.0085 0.6576 4.3 1 O6 O 0.3491 -0.0278 0.8419 3.8 1 O7 O 0.3475 -0.1555 0.0081 3.9 1 O8 O 0.3524 0.0209 0.5559 3.9 1 O9 O 0.3808 0.1121 0.6815 4.9 1 O10 O 0.5292 0.1415 0.4681 4.3 1 O11 O 0.3969 -0.2397 0.5644 4.5 1 O12 O 0.2391 -0.0627 0.5963 4.8 1 O13 O 0.2585 0.0743 0.6842 3.2 1 O14 O 0.4306 0.2596 0.5031 4.3 1 O15 O 0.3519 -0.0073 0.4685 4.3 1 O16 O 0.4888 0.1397 0.574 4.5 1 N1 N 0.4831 0.0187 0.415 6.1 1 C1 C 0.4727 0.0323 0.3615 7.7 1 C2 C 0.408 0.1047 0.3607 2.2 1 # End of data for UCSB-8Co