#********************************************************************************* # # Crystallographic Information File for Stellerite # # Reference : # Galli, E. and Alberti, A. # Bull. Soc. fr. Minéral. Cristallogr., 98, 11-18, (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_Stellerite _chemical_name_systematic 'Stellerite' _cell_length_a 13.599 _cell_length_b 18.222 _cell_length_c 17.863 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _space_group.name_H-M_ref 'F m m m' _symmetry_space_group_name_H-M 'F m m m' _symmetry_space_group_name_Hall '-F 2 2' _space_group.IT_number 69 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 CA1 Ca 0.5 0 0.291 3.23 1 SI1 Si 0.3857 0.3072 0.3769 0.78 0.778 SI3 Si 0.3013 0.4112 0.5 0.85 0.778 SI4 Si 0.3883 0.1833 0.5 0.83 0.778 SI5 Si 0.25 0.25 0.25 1.04 0.778 AL1 Al 0.3857 0.3072 0.3769 0.78 0.222 AL3 Al 0.3013 0.4112 0.5 0.85 0.222 AL4 Al 0.3883 0.1833 0.5 0.83 0.222 AL5 Al 0.25 0.25 0.25 1.04 0.222 O1 O 0.3175 0.3046 0.3018 2.46 1 O3 O 0.3721 0.2321 0.4251 3.07 1 O4 O 0.3577 0.3802 0.4239 2.87 1 O7 O 0.5 0.3141 0.3493 2.1 1 O8 O 0.3135 0.1129 0.5 2.37 1 O9 O 0.31 0.5 0.5 2.44 1 O10 O 0.5 0.1495 0.5 2.13 1 H2O1 O2-(H2O) 0.395 0.098 0.313 4.9 0.2 H2O2 O2-(H2O) 0.5 0.128 0.303 7.8 0.8 H2O3 O2-(H2O) 0.459 0 0.423 3.3 0.37 H2O4 O2-(H2O) 0.376 0 0.39 13 0.45 H2O5 O2-(H2O) 0.459 0.5 0.339 4.5 0.43 H2O6 O2-(H2O) 0.368 0.5 0.312 10.8 0.62 H2O7 O2-(H2O) 0.321 0.056 0.288 9.1 0.2 # End of data for Stellerite