#------------------------------------------------------------------------------ #$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/26/1532640.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_1532640 loop_ _publ_author_name 'Vyshatko, N.P.' 'Kharton, V.' 'Shaula, A.L.' 'Naumovich, E.N.' 'Marques, F.M.B.' _publ_section_title ; Structural characterization of mixed conducting perovskites La (Ga,M) O3-d (M = Mn, Fe, Co, Ni) ; _journal_name_full 'Materials Research Bulletin' _journal_page_first 185 _journal_page_last 193 _journal_volume 38 _journal_year 2003 _chemical_formula_sum 'Ga0.5 La Mn0.5 O3' _chemical_name_systematic 'La (Ga0.5 Mn0.5) O3' _space_group_IT_number 62 _symmetry_space_group_name_Hall '-P 2ac 2n' _symmetry_space_group_name_H-M 'P n m a' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 5.495 _cell_length_b 7.784 _cell_length_c 5.53 _cell_volume 236.535 _citation_journal_id_ASTM MRBUAC _cod_data_source_file Vyshatko_MRBUAC_2003_531.cif _cod_data_source_block Ga0.5La1Mn0.5O3 _cod_original_cell_volume 236.5351 _cod_original_formula_sum 'Ga0.5 La1 Mn0.5 O3' _cod_database_code 1532640 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x+1/2,-y,z+1/2 x+1/2,-y+1/2,-z+1/2 -x,y+1/2,-z -x,-y,-z x-1/2,y,-z-1/2 -x-1/2,y-1/2,z-1/2 x,-y-1/2,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 La1 La+3 0.0173 0.25 -0.0029 1 0.0 O2 O-2 0.7725 0.4641 0.772 1 0.0 Mn1 Mn+3 0.5 0 0 0.5 0.0 O1 O-2 -0.0058 0.25 0.4277 1 0.0 Ga1 Ga+3 0.5 0 0 0.5 0.0