#------------------------------------------------------------------------------ #$Date: 2020-08-03 12:56:34 +0300 (Mon, 03 Aug 2020) $ #$Revision: 254741 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/55/87/1558726.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_1558726 loop_ _publ_author_name 'Takami, T.' 'Ishikawa, Y.' 'Yonemura, M.' 'Fukunaga, T.' 'Matsubara, E.' 'Abe, T.' _publ_section_title ; Crystal structure, ionic conductivity and lithium-ion diffusion pathway in a La-Li-Co-O system ; _journal_name_full 'Journal of the Ceramic Society of Japan' _journal_page_first 453 _journal_page_last 456 _journal_paper_doi 10.2109/jcersj2.19233 _journal_volume 128 _journal_year 2020 _chemical_formula_sum 'Co0.5 La1.24 Li1.07 O3.15' _chemical_name_common 'La1.24Li0.57Li0.5Co0.5O3.15 at 100 C' _space_group_IT_number 65 _space_group_name_Hall '-A 2 2' _space_group_name_H-M_alt 'A m m m' _cell_angle_alpha 90.000000 _cell_angle_beta 90.000000 _cell_angle_gamma 90.000000 _cell_formula_units_Z 4 _cell_length_a 5.352(5) _cell_length_b 5.355(6) _cell_length_c 12.6320(10) _cell_volume 362.0(5) _diffrn_ambient_pressure 100 _diffrn_ambient_temperature 373 _cod_data_source_file La1.24Li0.57Li0.5Co0.5O3.15.cif _cod_data_source_block LaLiCoO _cod_original_cell_volume 362.032631 _cod_original_formula_sum 'La1.24 Li1.07 Co0.5 O3.15' _cod_database_code 1558726 loop_ _space_group_symop_id _space_group_symop_operation_xyz 1 x,y,z 2 -x,-y,-z 3 x,-y,-z 4 -x,y,z 5 -x,-y,z 6 x,y,-z 7 -x,y,-z 8 x,-y,z 9 x,y+1/2,z+1/2 10 -x,-y+1/2,-z+1/2 11 x,-y+1/2,-z+1/2 12 -x,y+1/2,z+1/2 13 -x,-y+1/2,z+1/2 14 x,y+1/2,-z+1/2 15 -x,y+1/2,-z+1/2 16 x,-y+1/2,z+1/2 loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_B_iso_or_equiv _atom_site_type_symbol La1 0.6200 0.000000 0.000000 0.13400(10) Biso 0.34(5) La La1Li 0.1200 0.000000 0.000000 0.1340(5) Biso 3.2(2) Li La2 0.6200 0.500000 0.000000 0.36500(10) Biso 0.34(5) La La2Li 0.1200 0.500000 0.000000 0.3650(5) Biso 3.1(3) Li Li1 1.0 0.000000 0.000000 0.500000 Biso 4.1(3) Li Li4 0.3300 0.000000 0.000000 0.250000 Biso 4.3(4) Li Co1 1.0 0.500000 0.000000 0.000000 Biso 0.34(1) Co O1 0.8800 0.2585(5) 0.2472(7) 0.000000 Biso 0.97(8) O O2 0.5500 0.000000 0.000000 0.3214(5) Biso 2.4(4) O O3 0.8000 0.500000 0.000000 0.1630(6) Biso 1.1(2) O