#********************************************************************************* # # Crystallographic Information File for Bellbergite # # Reference : # Rüdinger, B., Tillmanns, E. and Hentschel, G. # Miner. Petrol., 48, 147-152, (1993) # # # 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_Bellbergite _chemical_name_systematic 'Bellbergite' _cell_length_a 13.244 _cell_length_b 13.244 _cell_length_c 15.988 _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 K1 K 0.105 0.21 0.25 5 0.3333 Ca1 Ca 0 0 0 0.5 1 Ca2 Ca 0.33333 0.66667 0.13 6.9 1 Sr1 Sr 0.33333 0.66667 0.9119 2.4 0.5 Si1 Si 0.4215 0.3313 0.1538 1.09 0.5125 Si2 Si 0.2476 0 0 0.36 0.5125 Al1 Al 0.4215 0.3313 0.1538 1.09 0.4875 Al2 Al 0.2476 0 0 0.36 0.4875 O1 O 0.1127 0.225 0.003 0.5 1 O2 O 0.6818 0 0.9158 1.2 1 O3 O 0.958 0.327 0.25 2.1 1 O4 O 0.2295 0.459 0.864 1.6 1 O5 O 0.459 0.918 0.862 1.8 1 H2O1 O2-(H2O) 0.33333 0.66667 0.75 5 1 H2O2 O2-(H2O) 0.413 0.826 0.25 3.5 1 H2O3 O2-(H2O) 0.587 0.174 0.965 3 0.5 H2O4 O2-(H2O) 0.218 0.436 0.159 3.6 1 H2O5 O2-(H2O) 0 0 0.643 1.4 1 # End of data for Bellbergite