#********************************************************************************* # # Crystallographic Information File for Na-exchanged K-F # # Reference : # Baerlocher, Ch. and Barrer, R.M. # Z. Kristallogr., 140, 10-26, (1974) # # # 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_Na-exchanged_K-F _chemical_name_systematic 'Na-exchanged K-F' _cell_length_a 10.056 _cell_length_b 10.056 _cell_length_c 6.68 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'P -4 21 m' _symmetry_space_group_name_H-M 'P -4 21 m' _symmetry_space_group_name_Hall 'P -4 2ab' _space_group.IT_number 113 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 NA1 Na 0.242 0.258 -0.059 1.9 0.78 NA21 Na -0.101 0.399 0.324 2.6 0.92 NA22 Na 0 0.5 0.325 0.4 0.6 SI1 Si 0 0 0 4.5 0.5 SI2 Si 0.127 0.134 0.375 1 0.5 AL1 Al 0 0 0 4.5 0.5 AL2 Al 0.127 0.134 0.375 1 0.5 O1 O 0.099 0.093 0.133 2.7 1 O2 O -0.018 0.184 0.466 3.7 1 O3 O 0.24 0.26 0.389 0.9 1 H2O4 O2-(H2O) 0.147 0.353 -0.272 1.7 0.5 H2O5 O2-(H2O) 0.112 0.387 -0.054 1.8 0.52 H2O6 O2-(H2O) 0 0.5 -0.181 1.8 0.36 # End of data for Na-exchanged_K-F