#********************************************************************************* # # Crystallographic Information File for AlPO-52, calcined, rehydrated # # Reference : # McGuire, N.K., Bateman, C.A., Blackwell, C.S., Wilson, S.T. and Kirchner, R.M. # Zeolites, 15, 460-469, (1995) # # # 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-52_calcined_rehydrated_ _chemical_name_systematic 'AlPO-52, calcined, rehydrated ' _cell_length_a 13.715 _cell_length_b 13.715 _cell_length_c 29.676 _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 Al1 Al 0.231 0 0.198 1.97 1 Al2 Al 0.341 0.445 0.469 1.97 1 Al3 Al 0.435 0.326 0.635 1.97 1 P1 P 0.225 0.223 0.202 1.97 1 P2 P 0.339 0.448 0.368 1.97 1 P3 P 0.435 0.329 0.534 1.97 1 O1 O 0.267 0.007 0.253 1.97 1 O2 O 0.234 0.125 0.182 1.97 1 O3 O 0.097 -0.103 0.195 1.97 1 O4 O 0.317 -0.026 0.163 1.97 1 O5 O 0.344 0.413 0.414 1.97 1 O6 O 0.362 0.354 0.503 1.97 1 O7 O 0.445 0.581 0.477 1.97 1 O8 O 0.223 0.453 0.487 1.97 1 O9 O 0.302 0.323 0.17 1.97 1 O10 O 0.472 0.224 0.648 1.97 1 O11 O 0.55 0.452 0.651 1.97 1 O12 O 0.394 0.318 0.58 1.97 1 # End of data for AlPO-52_calcined_rehydrated_