#------------------------------------------------------------------------------ #$Date: 2018-09-27 07:13:35 +0300 (Thu, 27 Sep 2018) $ #$Revision: 211196 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/20/1522063.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_1522063 loop_ _publ_author_name 'Uchimoto, Y.' 'Kinuhata, M.' 'Takagu, H.' 'Yoshida, H.' 'Inagaki, T.' 'Yao, T.' _publ_section_title ; Crystal structure of metal cation-doped Ba2 In2 O5 and its oxide ion conductivity ; _journal_name_full 'Electrochemical Society Proceedings' _journal_page_first 317 _journal_page_last 326 _journal_volume 99 _journal_year 1999 _chemical_formula_sum 'Ba2 In2 O5' _space_group_IT_number 46 _symmetry_space_group_name_Hall 'I 2 -2b' _symmetry_space_group_name_H-M 'I b m 2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 6.10476 _cell_length_b 16.75409 _cell_length_c 5.97253 _cell_volume 610.869 _citation_journal_id_ASTM PESODO _cod_data_source_file Uchimoto_PESODO_1999_570.cif _cod_data_source_block Ba2In2O5 _cod_original_cell_volume 610.8685 _cod_original_sg_symbol_Hall 'I 2 -2a (y,-x,z)' _cod_database_code 1522063 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z x,-y+1/2,z -x,y+1/2,z x+1/2,y+1/2,z+1/2 -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1,z+1/2 -x+1/2,y+1,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 In1 In+3 0 0 0 1 0.0 O3 O-2 0.5749 0.25 0.0221 1 0.0 O1 O-2 0.2988 0.0061 0.3005 1 0.0 O2 O-2 0.0017 0.0629 0.8941 1 0.0 Ba1 Ba+2 0.012 0.1091 0.5026 1 0.0 In2 In+3 0.9252 0.25 0.0333 1 0.0