#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/14/7221434.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_7221434 loop_ _publ_author_name 'Babel, D.' 'Pausewang, G.' 'Viebahn, W.' _publ_section_title ; Die Struktur einiger Fluoride, Oxide und Oxidfluoride A Me2 X6, der Rb Ni Cr F6 - Typ ; _journal_name_full ; Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische Chemie (2,1947-32,1977) ; _journal_page_first 1219 _journal_page_last 1220 _journal_volume 22 _journal_year 1967 _chemical_formula_sum 'Cs F6 Fe V' _chemical_name_systematic 'Cs Fe V F6' _space_group_IT_number 227 _symmetry_space_group_name_Hall '-F 4vw 2vw 3' _symmetry_space_group_name_H-M 'F d -3 m :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 10.48 _cell_length_b 10.48 _cell_length_c 10.48 _cell_volume 1151.023 _citation_journal_id_ASTM ZENBAX _cod_data_source_file Babel_ZENBAX_1967_1815.cif _cod_data_source_block Cs1F6Fe1V1 _cod_original_cell_volume 1151.022 _cod_original_formula_sum 'Cs1 F6 Fe1 V1' _cod_database_code 7221434 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x+1/4,z+1/4 -x+3/4,-y+1/4,z+1/2 y+3/4,-x,z+3/4 x,-y+1/4,-z+1/4 y+3/4,x+1/4,-z+1/2 -x+3/4,y,-z+3/4 -y,-x,-z z,x,y -x,z+1/4,y+1/4 -z+3/4,-x+1/4,y+1/2 x+3/4,-z,y+3/4 z,-x+1/4,-y+1/4 x+3/4,z+1/4,-y+1/2 -z+3/4,x,-y+3/4 -x,-z,-y y,z,x y+1/2,-z+3/4,-x+1/4 z+1/4,y+3/4,-x+1/2 -y+1/4,z+1/2,-x+3/4 -z,-y+1/2,-x+1/2 -y+1/4,-z+1/4,x z+1/4,-y,x+1/4 -z+1/2,y+1/4,x+3/4 -x,-y,-z y,-x-1/4,-z-1/4 x-3/4,y-1/4,-z-1/2 -y-3/4,x,-z-3/4 -x,y-1/4,z-1/4 -y-3/4,-x-1/4,z-1/2 x-3/4,-y,z-3/4 y,x,z -z,-x,-y x,-z-1/4,-y-1/4 z-3/4,x-1/4,-y-1/2 -x-3/4,z,-y-3/4 -z,x-1/4,y-1/4 -x-3/4,-z-1/4,y-1/2 z-3/4,-x,y-3/4 x,z,y -y,-z,-x -y-1/2,z-3/4,x-1/4 -z-1/4,-y-3/4,x-1/2 y-1/4,-z-1/2,x-3/4 z,y-1/2,x-1/2 y-1/4,z-1/4,-x -z-1/4,y,-x-1/4 z-1/2,-y-1/4,-x-3/4 x,y+1/2,z+1/2 -y,x+3/4,z+3/4 -x+3/4,-y+3/4,z+1 y+3/4,-x+1/2,z+5/4 x,-y+3/4,-z+3/4 y+3/4,x+3/4,-z+1 -x+3/4,y+1/2,-z+5/4 -y,-x+1/2,-z+1/2 z,x+1/2,y+1/2 -x,z+3/4,y+3/4 -z+3/4,-x+3/4,y+1 x+3/4,-z+1/2,y+5/4 z,-x+3/4,-y+3/4 x+3/4,z+3/4,-y+1 -z+3/4,x+1/2,-y+5/4 -x,-z+1/2,-y+1/2 y,z+1/2,x+1/2 y+1/2,-z+5/4,-x+3/4 z+1/4,y+5/4,-x+1 -y+1/4,z+1,-x+5/4 -z,-y+1,-x+1 -y+1/4,-z+3/4,x+1/2 z+1/4,-y+1/2,x+3/4 -z+1/2,y+3/4,x+5/4 -x,-y+1/2,-z+1/2 y,-x+1/4,-z+1/4 x-3/4,y+1/4,-z -y-3/4,x+1/2,-z-1/4 -x,y+1/4,z+1/4 -y-3/4,-x+1/4,z x-3/4,-y+1/2,z-1/4 y,x+1/2,z+1/2 -z,-x+1/2,-y+1/2 x,-z+1/4,-y+1/4 z-3/4,x+1/4,-y -x-3/4,z+1/2,-y-1/4 -z,x+1/4,y+1/4 -x-3/4,-z+1/4,y z-3/4,-x+1/2,y-1/4 x,z+1/2,y+1/2 -y,-z+1/2,-x+1/2 -y-1/2,z-1/4,x+1/4 -z-1/4,-y-1/4,x y-1/4,-z,x-1/4 z,y,x y-1/4,z+1/4,-x+1/2 -z-1/4,y+1/2,-x+1/4 z-1/2,-y+1/4,-x-1/4 x+1/2,y,z+1/2 -y+1/2,x+1/4,z+3/4 -x+5/4,-y+1/4,z+1 y+5/4,-x,z+5/4 x+1/2,-y+1/4,-z+3/4 y+5/4,x+1/4,-z+1 -x+5/4,y,-z+5/4 -y+1/2,-x,-z+1/2 z+1/2,x,y+1/2 -x+1/2,z+1/4,y+3/4 -z+5/4,-x+1/4,y+1 x+5/4,-z,y+5/4 z+1/2,-x+1/4,-y+3/4 x+5/4,z+1/4,-y+1 -z+5/4,x,-y+5/4 -x+1/2,-z,-y+1/2 y+1/2,z,x+1/2 y+1,-z+3/4,-x+3/4 z+3/4,y+3/4,-x+1 -y+3/4,z+1/2,-x+5/4 -z+1/2,-y+1/2,-x+1 -y+3/4,-z+1/4,x+1/2 z+3/4,-y,x+3/4 -z+1,y+1/4,x+5/4 -x+1/2,-y,-z+1/2 y+1/2,-x-1/4,-z+1/4 x-1/4,y-1/4,-z -y-1/4,x,-z-1/4 -x+1/2,y-1/4,z+1/4 -y-1/4,-x-1/4,z x-1/4,-y,z-1/4 y+1/2,x,z+1/2 -z+1/2,-x,-y+1/2 x+1/2,-z-1/4,-y+1/4 z-1/4,x-1/4,-y -x-1/4,z,-y-1/4 -z+1/2,x-1/4,y+1/4 -x-1/4,-z-1/4,y z-1/4,-x,y-1/4 x+1/2,z,y+1/2 -y+1/2,-z,-x+1/2 -y,z-3/4,x+1/4 -z+1/4,-y-3/4,x y+1/4,-z-1/2,x-1/4 z+1/2,y-1/2,x y+1/4,z-1/4,-x+1/2 -z+1/4,y,-x+1/4 z,-y-1/4,-x-1/4 x+1/2,y+1/2,z -y+1/2,x+3/4,z+1/4 -x+5/4,-y+3/4,z+1/2 y+5/4,-x+1/2,z+3/4 x+1/2,-y+3/4,-z+1/4 y+5/4,x+3/4,-z+1/2 -x+5/4,y+1/2,-z+3/4 -y+1/2,-x+1/2,-z z+1/2,x+1/2,y -x+1/2,z+3/4,y+1/4 -z+5/4,-x+3/4,y+1/2 x+5/4,-z+1/2,y+3/4 z+1/2,-x+3/4,-y+1/4 x+5/4,z+3/4,-y+1/2 -z+5/4,x+1/2,-y+3/4 -x+1/2,-z+1/2,-y y+1/2,z+1/2,x y+1,-z+5/4,-x+1/4 z+3/4,y+5/4,-x+1/2 -y+3/4,z+1,-x+3/4 -z+1/2,-y+1,-x+1/2 -y+3/4,-z+3/4,x z+3/4,-y+1/2,x+1/4 -z+1,y+3/4,x+3/4 -x+1/2,-y+1/2,-z y+1/2,-x+1/4,-z-1/4 x-1/4,y+1/4,-z-1/2 -y-1/4,x+1/2,-z-3/4 -x+1/2,y+1/4,z-1/4 -y-1/4,-x+1/4,z-1/2 x-1/4,-y+1/2,z-3/4 y+1/2,x+1/2,z -z+1/2,-x+1/2,-y x+1/2,-z+1/4,-y-1/4 z-1/4,x+1/4,-y-1/2 -x-1/4,z+1/2,-y-3/4 -z+1/2,x+1/4,y-1/4 -x-1/4,-z+1/4,y-1/2 z-1/4,-x+1/2,y-3/4 x+1/2,z+1/2,y -y+1/2,-z+1/2,-x -y,z-1/4,x-1/4 -z+1/4,-y-1/4,x-1/2 y+1/4,-z,x-3/4 z+1/2,y,x-1/2 y+1/4,z+1/4,-x -z+1/4,y+1/2,-x-1/4 z,-y+1/4,-x-3/4 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 V1 V+3 0 0 0 0.5 0.0 Cs1 Cs+1 0.375 0.375 0.375 1 0.0 Fe1 Fe+2 0 0 0 0.5 0.0 F1 F-1 0.319 0.125 0.125 1 0.0