#------------------------------------------------------------------------------ #$Date: 2015-07-10 15:28:57 +0300 (Fri, 10 Jul 2015) $ #$Revision: 142364 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/21/1522144.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_1522144 loop_ _publ_author_name 'Warda, S.A.' 'Kesper, U.' 'Pietzuch, W.' 'Massa, W.' 'Reinen, D.' _publ_section_title ; Color and constitution of Cr(VI)-doped Bi2 O3 phases: the structure of Bi14 Cr O24 ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 209 _journal_page_last 217 _journal_volume 149 _journal_year 2000 _chemical_formula_sum 'Bi14 Cr O24' _chemical_name_systematic 'Bi14 Cr O24' _space_group_IT_number 87 _symmetry_space_group_name_Hall '-I 4' _symmetry_space_group_name_H-M 'I 4/m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 8.684 _cell_length_b 8.684 _cell_length_c 17.238 _cell_volume 1299.950 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Warda_JSSCBI_2000_1732.cif _cod_data_source_block Bi14Cr1O24 _cod_original_cell_volume 1299.95 _cod_chemical_formula_sum_orig 'Bi14 Cr1 O24' _cod_database_code 1522144 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 O2 O-2 0.1225 0.1828 0.4218 1 0.0 Bi2 Bi+3 0.7866 0.5624 0 1 0.0 O7 O-2 0.199 0.017 0 0.23 0.0 O1 O-2 0 0.5 0.3775 1 0.0 O3 O-2 0.7476 0.0772 0.2562 1 0.0 Cr1 Cr+6 0 0 0.0188 0.5 0.0 Bi1 Bi+3 0 0 0.6577 1 0.0 O4 O-2 0 0 0.111 0.5 0.0 O5 O-2 0.153 0.104 0 0.15 0.0 Bi3 Bi+3 0.7981 0.6056 0.6691 1 0.0 O6 O-2 0.154 -0.065 0.028 0.19 0.0