#------------------------------------------------------------------------------ #$Date: 2016-02-13 19:28:24 +0000 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: svn://www.crystallography.net/cod/cif/1/53/27/1532757.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_1532757 loop_ _publ_author_name 'Nomura, K.' 'Takeuchi, T.' 'Kageyama, H.' 'Miyazaki, Y.' _publ_section_title ; High temperature crystallographic study of (La0.9 Sr0.1) M(III) O3-d (M(III) = Sc, In and Lu) perovskite proton conductor ; _journal_name_full 'Solid State Ionics' _journal_page_first 99 _journal_page_last 104 _journal_volume 162 _journal_year 2003 _chemical_formula_sum 'La0.9 O2.95 Sc Sr0.1' _chemical_name_systematic '(La0.9 Sr0.1) Sc O2.95' _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 5.8043 _cell_length_b 8.1524 _cell_length_c 5.725 _cell_volume 270.901 _citation_journal_id_ASTM SSIOD3 _cod_data_source_file Nomura_SSIOD3_2003_925.cif _cod_data_source_block La0.9O2.95Sc1Sr0.1 _cod_original_cell_volume 270.9011 _cod_original_formula_sum 'La0.9 O2.95 Sc1 Sr0.1' _cod_database_code 1532757 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 O1 O-2 0.525 0.25 0.099 0.9833 0.0 Sc1 Sc+3 0 0 0.5 1 0.0 O2 O-2 0.205 0.047 0.789 0.9833 0.0 Sr1 Sr+2 -0.0367 0.25 -0.0085 0.1 0.0 La1 La+3 -0.0367 0.25 -0.0085 0.9 0.0