#------------------------------------------------------------------------------ #$Date: 2015-07-12 19:22:39 +0300 (Sun, 12 Jul 2015) $ #$Revision: 147444 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/63/1526300.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_1526300 loop_ _publ_author_name 'Prado, G.' 'Fournes, L.' 'Delmas, C.' _publ_section_title ; On the Lix Ni0.70 Fe0.15 Co0.15 O2 system: an X-ray diffraction andMossbauer study ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 103 _journal_page_last 112 _journal_volume 159 _journal_year 2001 _chemical_formula_sum 'Co0.1545 Fe0.1545 Li0.26 Ni0.721 O2' _chemical_name_systematic 'Li0.26 (Ni0.7 Fe0.15 Co0.15)1.03 O2' _space_group_IT_number 166 _symmetry_space_group_name_Hall '-R 3 2"' _symmetry_space_group_name_H-M 'R -3 m :H' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 3 _cell_length_a 2.8188 _cell_length_b 2.8188 _cell_length_c 14.365 _cell_volume 98.847 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Prado_JSSCBI_2001_1570.cif _cod_data_source_block Co0.1545Fe0.1545Li0.26Ni0.721O2 _cod_original_cell_volume 98.84729 _cod_database_code 1526300 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y,x-y,z -x+y,-x,z y,x,-z -x,-x+y,-z x-y,-y,-z -x,-y,-z y,-x+y,-z x-y,x,-z -y,-x,z x,x-y,z -x+y,y,z x+2/3,y+1/3,z+1/3 -y+2/3,x-y+1/3,z+1/3 -x+y+2/3,-x+1/3,z+1/3 y+2/3,x+1/3,-z+1/3 -x+2/3,-x+y+1/3,-z+1/3 x-y+2/3,-y+1/3,-z+1/3 -x+2/3,-y+1/3,-z+1/3 y+2/3,-x+y+1/3,-z+1/3 x-y+2/3,x+1/3,-z+1/3 -y+2/3,-x+1/3,z+1/3 x+2/3,x-y+1/3,z+1/3 -x+y+2/3,y+1/3,z+1/3 x+1/3,y+2/3,z+2/3 -y+1/3,x-y+2/3,z+2/3 -x+y+1/3,-x+2/3,z+2/3 y+1/3,x+2/3,-z+2/3 -x+1/3,-x+y+2/3,-z+2/3 x-y+1/3,-y+2/3,-z+2/3 -x+1/3,-y+2/3,-z+2/3 y+1/3,-x+y+2/3,-z+2/3 x-y+1/3,x+2/3,-z+2/3 -y+1/3,-x+2/3,z+2/3 x+1/3,x-y+2/3,z+2/3 -x+y+1/3,y+2/3,z+2/3 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 Fe2 Fe+3 0 0 0 0.15 0.0 Fe1 Fe+3 0 0 0.5 0.0051 0.0 O1 O-2 0 0 0.266 1 0.0 Ni1 Ni+3 0 0 0.5 0.0238 0.0 Co2 Co+3 0 0 0 0.15 0.0 Li1 Li+1 0 0 0.5 0.26 0.0 Ni2 Ni+3 0 0 0 0.7 0.0 Co1 Co+3 0 0 0.5 0.0051 0.0