#********************************************************************************* # # Crystallographic Information File for Partheite # # Reference : # Engel, N. and Yvon, K. # Z. Kristallogr., 169, 165-175, (1984) # # # 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_Partheite _chemical_name_systematic 'Partheite' _cell_length_a 21.555 _cell_length_b 8.761 _cell_length_c 9.304 _cell_angle_alpha 90 _cell_angle_beta 91.55 _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 CA Ca 0.35586 0.1991 0.0444 0.93 1 SI1 Si 0.06729 0.1832 0.2896 0.53 1 SI2 Si 0.23983 0.0077 0.4621 0.46 1 AL1 Al 0.1161 0.0844 0.6006 0.56 1 AL2 Al 0.1999 0.3162 0.2858 0.51 1 O1 O 0.0695 0.0181 0.2162 0.73 1 O2 O 0.0725 0.1719 0.4626 0.84 1 O3 O 0.1222 0.2883 0.2295 0.89 1 O4 O 0.1722 0.0363 0.025 0.86 1 O5 O 0.2081 0.4669 0.4096 0.71 1 O6 O 0.2345 0.155 0.3605 0.84 1 O7 O 0.234 0.3599 0.1221 0.76 1 O8 O 0 0.2632 0.25 0.63 1 OH O1-(OH) 0.3523 0.2673 0.2918 1.11 1 H2O1 O2-(H2O) 0.0712 0.505 0.0159 2.62 1 H2O2 O2-(H2O) 0.4541 0.307 0.08 1.72 1 # End of data for Partheite