#------------------------------------------------------------------------------ #$Date: 2015-07-12 18:30:10 +0300 (Sun, 12 Jul 2015) $ #$Revision: 147127 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/60/1526031.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_1526031 loop_ _publ_author_name 'Fischer, W.' 'Reck, G.' 'Schober, T.' _publ_section_title ; Phase transition of Ba2 In2 O5 in humid air studied by in-situ X-ray powder diffraction ; _journal_name_full 'Materials Science Forum' _journal_page_first 363 _journal_page_last 367 _journal_volume 321 _journal_year 2000 _chemical_formula_sum 'Ba2 In2 O5' _chemical_name_systematic 'Ba2 In2 O5' _space_group_IT_number 123 _symmetry_space_group_name_Hall '-P 4 2' _symmetry_space_group_name_H-M 'P 4/m m m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 4.1827 _cell_length_b 4.1827 _cell_length_c 8.9617 _cell_volume 156.785 _citation_journal_id_ASTM MSFOEP _cod_data_source_file Fischer_MSFOEP_2000_341.cif _cod_data_source_block Ba2In2O5 _cod_original_cell_volume 156.7848 _cod_database_code 1526031 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,-y,-z y,-x,-z x,y,-z -y,x,-z -x,y,z -y,-x,z x,-y,z y,x,z 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 0.5 0.5 1 0.0 In2 In+3 0.5 0.5 0 1 0.0 O1 O-2 0.5 0.5 0.244 1 0.0 Ba1 Ba+2 0 0 0.282 1 0.0 In1 In+3 0.5 0.5 0.5 1 0.0 O3 O-2 0.3558 0 0 0.25 0.0