#********************************************************************************* # # Crystallographic Information File for AlPO-11, calcined # # Reference : # Richardson Jr., J.W., Pluth, J.J. and Smith, J.V. # Acta Crystallogr., B44, 367-373, (1988) # # # 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-11_calcined _chemical_name_systematic 'AlPO-11, calcined' _cell_length_a 13.5336 _cell_length_b 18.4821 _cell_length_c 8.3703 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'I b m 2' _symmetry_space_group_name_H-M 'I b m 2' _symmetry_space_group_name_Hall 'I 2 -2b' _space_group.IT_number 46 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 0.134 0.035 -0.199 2.76 1 AL2 Al 0.949 0.102 0.317 3.54 1 AL3 Al 0.85 0.25 -0.185 1.89 1 P1 P 0.143 0.025 0.182 2.76 1 P2 P 0.953 0.104 -0.306 3.54 1 P3 P 0.857 0.25 0.185 1.89 1 O1 O 0.143 0.039 0 12.15 1 O2 O 0.945 0.105 0.517 6.09 1 O3 O 0.86 0.25 0.024 9.72 1 O4 O 0.242 0.068 0.243 5.04 1 O5 O 0.068 0.088 0.252 5.37 1 O51 O 0.057 0.091 -0.257 5.37 1 O6 O 0.118 0.955 0.232 8.52 1 O61 O 0.125 0.954 -0.264 8.52 1 O7 O 0.913 0.179 0.232 8.76 1 O71 O 0.909 0.177 -0.263 8.76 1 O8 O 0.762 0.25 0.234 7.02 1 # End of data for AlPO-11_calcined