#********************************************************************************* # # Crystallographic Information File for Perlialite # # Reference : # Artioli, G. and Kvick, Å. # Eur. J. Mineral., 2, 749-759, (1990) # # # 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_Perlialite _chemical_name_systematic 'Perlialite' _cell_length_a 18.5432 _cell_length_b 18.5432 _cell_length_c 7.531 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'P 6/m m m' _symmetry_space_group_name_H-M 'P 6/m m m' _symmetry_space_group_name_Hall '-P 6 2' _space_group.IT_number 191 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 K1 K 0.33 0.66 0 5.53 0.18 K2 K 0.33 0.66 0.5 1.18 0.38 K21 K 0.33 0.66 0.427 1.18 0.31 K3 K 0.297 0 0 3.63 0.517 Tl3 Tl 0.315 0 0 3.63 0.483 K4 K 0.5 0 0.5 3.24 0.699 Tl4 Tl 0.5 0 0.5 3.24 0.301 Si1 Si 0.0924 0.3546 0.5 2.53 0.667 Si2 Si 0.1672 0.4975 0.215 4.9 0.667 Al1 Al 0.0924 0.3546 0.5 2.53 0.333 Al2 Al 0.1672 0.4975 0.215 4.9 0.333 O1 O 0 0.272 0.5 0.79 1 O2 O 0.158 0.316 0.5 4.74 1 O3 O 0.26 0.52 0.288 5.53 1 O4 O 0.1038 0.4125 0.326 1.82 1 O5 O 0.4092 0.818 0.213 4.74 1 O6 O 0.156 0.483 0 1.18 1 H2O1 O2-(H2O) 0.11 0 0 7.11 0.4 H2O2 O2-(H2O) 0.134 0 0.37 7.11 0.91 H2O3 O2-(H2O) 0.28 0.14 0 2.37 0.25 H2O4 O2-(H2O) 0.28 0.14 0.26 7.9 0.19 H2O5 O2-(H2O) 0 0 0.172 7.9 0.7 H2O6 O2-(H2O) 0.56 0.28 0 7.9 0.66 # End of data for Perlialite