#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/7/22/21/7222159.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_7222159 loop_ _publ_author_name 'Akopjan, A.V.' 'Serov, T.V.' 'Ardashnikova, E.I.' 'Dolgikh, V.A.' 'Lightfoot, P.' _publ_section_title ; A new anion conductive bismuth-vanadium oxyfluoride ; _journal_name_full 'Journal of Materials Chemistry' _journal_page_first 1490 _journal_page_last 1494 _journal_volume 12 _journal_year 2002 _chemical_formula_sum 'Bi2 F O5 V' _chemical_name_systematic 'Bi2 V O5 F' _space_group_IT_number 107 _symmetry_space_group_name_Hall 'I 4 -2' _symmetry_space_group_name_H-M 'I 4 m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 3.86042 _cell_length_b 3.86042 _cell_length_c 15.6834 _cell_volume 233.727 _citation_journal_id_ASTM JMACEP _cod_data_source_file Akopjan_JMACEP_2002_705.cif _cod_data_source_block Bi2F1O5V1 _cod_original_cell_volume 233.7272 _cod_original_formula_sum 'Bi2 F1 O5 V1' _cod_database_code 7222159 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x,z -x,-y,z y,-x,z -x,y,z -y,-x,z x,-y,z y,x,z x+1/2,y+1/2,z+1/2 -y+1/2,x+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 y+1/2,-x+1/2,z+1/2 -x+1/2,y+1/2,z+1/2 -y+1/2,-x+1/2,z+1/2 x+1/2,-y+1/2,z+1/2 y+1/2,x+1/2,z+1/2 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 F2 F-1 0 0 0.102 0.25 0.0 F1 F-1 0 0.5 0.022 0.125 0.0 O3 O-2 0 0.5 0.235 1 0.0 Bi1 Bi+3 0 0 0.323 1 0.0 O4 O-2 0.095 0.095 0.89 0.1875 0.0 F3 F-1 0.095 0.095 0.89 0.0625 0.0 V1 V+5 0 0 0 1 0.0 O1 O-2 0 0.5 0.022 0.375 0.0 O2 O-2 0 0 0.102 0.75 0.0 F4 F-1 0 0.5 -0.021 0.125 0.0 Bi2 Bi+3 0 0 0.661 1 0.0 O5 O-2 0 0.5 -0.021 0.375 0.0