#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/70/1527017.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_1527017 loop_ _publ_author_name 'Yao, T.' 'Uchimoto, Y.' 'Kinuhata, M.' 'Inagaki, T.' 'Yoshida, H.' _publ_section_title ; Crystal structure of Ga-doped Ba2 In2 O5 and its oxide ion conductivity ; _journal_name_full 'Solid State Ionics' _journal_page_first 189 _journal_page_last 198 _journal_volume 132 _journal_year 2000 _chemical_formula_sum 'Ba Ga0.4 In0.6 O2.5' _chemical_name_systematic 'Ba (In0.60 Ga0.40) O2.5' _space_group_IT_number 221 _symmetry_space_group_name_Hall '-P 4 2 3' _symmetry_space_group_name_H-M 'P m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 4.174 _cell_length_b 4.174 _cell_length_c 4.174 _cell_volume 72.721 _citation_journal_id_ASTM SSIOD3 _cod_data_source_file Yao_SSIOD3_2000_575.cif _cod_data_source_block Ba1Ga0.4In0.6O2.5 _cod_original_cell_volume 72.72057 _cod_original_formula_sum 'Ba1 Ga0.4 In0.6 O2.5' _cod_database_code 1527017 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 z,x,y -x,z,y -z,-x,y x,-z,y z,-x,-y x,z,-y -z,x,-y -x,-z,-y y,z,x y,-z,-x z,y,-x -y,z,-x -z,-y,-x -y,-z,x z,-y,x -z,y,x -x,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z -z,-x,-y x,-z,-y z,x,-y -x,z,-y -z,x,y -x,-z,y z,-x,y x,z,y -y,-z,-x -y,z,x -z,-y,x y,-z,x z,y,x y,z,-x -z,y,-x z,-y,-x 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 Ba1 Ba+2 0 0 0 1 0.0 O1 O-2 0 0.5 0.5 0.833 0.0 Ga1 Ga+3 0.5 0.5 0.5 0.4 0.0 In1 In+3 0.5 0.5 0.5 0.6 0.0