#********************************************************************************* # # Crystallographic Information File for AlPO-18, calcined # # Reference : # Simmen, A., McCusker, L.B., Baerlocher, Ch. and Meier, W.M. # Zeolites, 11, 654-661, (1991) # # # 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_AlPO-18_calcined _chemical_name_systematic 'AlPO-18, calcined' _cell_length_a 13.7114 _cell_length_b 12.7315 _cell_length_c 18.5706 _cell_angle_alpha 90 _cell_angle_beta 90.01 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'C 1 2/c 1' _symmetry_space_group_name_H-M 'C 1 2/c 1' _symmetry_space_group_name_Hall '-C 2yc' _space_group.IT_number 15 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 0.88997 0.95872 0.16598 0.75 1 AL2 Al 0.88129 0.22661 0.93877 0.96 1 AL3 Al 0.22953 0.09687 0.04922 1.42 1 P1 P 0.77251 0.09559 0.05384 1.42 1 P2 P 0.10981 0.23135 0.93763 0.96 1 P3 P 0.11634 0.96983 0.16394 0.75 1 O1 O 0.17723 0.05318 0.12913 0.72 1 O2 O 0.14278 0.16702 0.00209 0.72 1 O3 O 0.00371 0.25884 0.94574 0.72 1 O4 O 0.84714 0.16747 0.02039 0.72 1 O5 O 0.81686 0.04552 0.12009 0.72 1 O6 O 0.01022 0.99732 0.15632 0.72 1 O7 O 0.13601 0.8626 0.1323 0.72 1 O8 O 0.33199 0.16953 0.06981 0.72 1 O9 O 0.85795 0.96546 0.25665 0.72 1 O10 O 0.81531 0.33988 0.92509 0.72 1 O11 O 0.12779 0.16274 0.8723 0.72 1 O12 O 0.26213 -0.01281 0.99849 0.72 1 # End of data for AlPO-18_calcined