#********************************************************************************* # # Crystallographic Information File for Mazzite # # Reference : # Galli, E. # Rend. Soc. Ital. Mineral. Petrol., 31, 599-612, (1975) # # # 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_Mazzite _chemical_name_systematic 'Mazzite' _cell_length_a 18.392 _cell_length_b 18.392 _cell_length_c 7.646 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'P 63/m m c' _symmetry_space_group_name_H-M 'P 63/m m c' _symmetry_space_group_name_Hall '-P 6c 2c' _space_group.IT_number 194 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 0.5 0 0 4.61 0.05 K1 K 0.5 0 0 4.61 0.42 MG1 Mg 0.3333 0.6667 -0.25 2.71 1 CA1 Ca 0.5 0 0 4.61 0.03 CA2 Ca 0 0 0.072 23.2 0.22 SI1 Si 0.1584 0.4902 0.25 1.05 0.73 SI2 Si 0.3536 0.0933 0.0444 1.05 0.73 AL1 Al 0.1584 0.4902 0.25 1.05 0.27 AL2 Al 0.3536 0.0933 0.0444 1.05 0.27 O1 O 0.2589 0.5178 0.25 2.38 1 O2 O 0.4249 0.8498 0.25 1.9 1 O3 O 0.3822 0.1004 0.25 2.14 1 O4 O 0.4352 0.1114 -0.0721 2.27 1 O5 O 0.1614 0.3228 -0.0016 1.96 1 O6 O 0.2741 0 0 2.37 1 H2O1 O2-(H2O) 0.467 0.934 0.661 6.4 0.5 H2O2 O2-(H2O) 0.3333 0.6667 0.016 4.3 1 H2O3 O2-(H2O) 0.271 0.542 -0.25 5.4 0.44 H2O4 O2-(H2O) 0.566 0.355 0.25 6.9 0.44 H2O5 O2-(H2O) 0.028 0.148 0.03 7.7 0.23 H2O6 O2-(H2O) 0.088 0.176 0.25 21.8 0.89 H2O7 O2-(H2O) 0.076 0.152 -0.25 31.2 0.45 # End of data for Mazzite