#------------------------------------------------------------------------------ #$Date: 2015-09-29 08:13:38 +0300 (Tue, 29 Sep 2015) $ #$Revision: 158844 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/53/28/1532844.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_1532844 loop_ _publ_author_name 'Mairesse, G.' 'Roussel, P.' 'Vannier, R.N.' 'Anne, M.' 'Nowogrocki, G.' 'Pirovano, C.' _publ_section_title ; Crystal structure determination of alpha-, beta- and gamma-(Bi4 V2 O11) polymorphs. Part I: gamma- and beta-(Bi4 V2 O11) ; _journal_name_full 'Solid State Sciences' _journal_page_first 851 _journal_page_last 859 _journal_volume 5 _journal_year 2003 _chemical_formula_sum 'Bi4 O11 V2' _chemical_name_systematic 'Bi4 (V2 O11)' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-A 2 2a' _symmetry_space_group_name_H-M 'A m a m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 11.2333 _cell_length_b 5.64925 _cell_length_c 15.3471 _cell_volume 973.923 _citation_journal_id_ASTM SSSCFJ _cod_data_source_file Mairesse_SSSCFJ_2003_1030.cif _cod_data_source_block Bi4O11V2 _cod_cif_authors_sg_Hall '-C 2c 2 (z,y,-x)' _cod_original_cell_volume 973.9227 _cod_database_code 1532844 loop_ _symmetry_equiv_pos_as_xyz x,y,z x+1/2,-y,-z -x,-y,z -x+1/2,y,-z -x,-y,-z -x-1/2,y,z x,y,-z x-1/2,-y,z x,y+1/2,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,-y+1/2,z+1/2 -x+1/2,y+1/2,-z+1/2 -x,-y+1/2,-z+1/2 -x-1/2,y+1/2,z+1/2 x,y+1/2,-z+1/2 x-1/2,-y+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 V2 V+5 0.25 0.045 0 1 0.0 O2 O-2 0.25 0.941 0.1015 1 0.0 O3 O-2 0.124 0.225 0 1 0.0 O1 O-2 0.121 0.2517 0.249 1 0.0 V1 V+5 0.018 0.471 0 0.5 0.0 Bi2 Bi+3 0.25 0.5381 0.1684 1 0.0 Bi1 Bi+3 0 0 0.1697 1 0.0 O4 O-2 0.075 0.654 0.0631 0.75 0.0