#------------------------------------------------------------------------------ #$Date: 2015-09-17 23:36:19 +0300 (Thu, 17 Sep 2015) $ #$Revision: 156972 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/14/1531490.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_1531490 loop_ _publ_author_name 'Hofmann, B.' 'Hoppe, R.' _publ_section_title ; Neue Metallfluoride A3 M F7 mit M = Si, Ti, Cr, Mn, Ti und A = Rb, Cs ; _journal_name_full 'Zeitschrift fuer Anorganische und Allgemeine Chemie' _journal_page_first 151 _journal_page_last 162 _journal_volume 458 _journal_year 1979 _chemical_formula_sum 'Cs3 F7 Si' _chemical_name_systematic 'Cs3 (Si F6) F' _space_group_IT_number 127 _symmetry_space_group_name_Hall '-P 4 2ab' _symmetry_space_group_name_H-M 'P 4/m b m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 8.306 _cell_length_b 8.306 _cell_length_c 6.17 _cell_volume 425.666 _citation_journal_id_ASTM ZAACAB _cod_data_source_file Hofmann_ZAACAB_1979_1066.cif _cod_data_source_block Cs3F7Si1 _cod_chemical_formula_sum_orig 'Cs3 F7 Si1' _cod_database_code 1531490 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z x+1/2,-y+1/2,-z y+1/2,x+1/2,-z -x+1/2,y+1/2,-z -y+1/2,-x+1/2,-z -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x-1/2,y-1/2,z -y-1/2,-x-1/2,z x-1/2,-y-1/2,z y-1/2,x-1/2,z loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv F1 F-1 0 0 0.5 1 0.0 Cs2 Cs+1 0.305 0.805 0.5 1 0.0 Cs1 Cs+1 0 0 0 1 0.0 Si1 Si+4 0 0.5 0 1 0.0 F2 F-1 0.3532 0.8532 0 1 0.0 F3 F-1 0.1038 0.6038 0.1976 1 0.0