#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/91/1529124.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_1529124 loop_ _publ_author_name 'Fouassier, C.' 'Matejka, G.' 'Reau, J.M.' 'Hagenmuller, P.' _publ_section_title ; Sur de Nouveaux Bronzes Oxygenes de Formule Nax Co O2 (x below or equal to 1). Le Systeme Cobalt-Oxygene-Sodium ; _journal_name_full 'Journal of Solid State Chemistry' _journal_page_first 532 _journal_page_last 537 _journal_volume 6 _journal_year 1973 _chemical_formula_sum 'Co Na0.6 O2' _chemical_name_systematic 'Na.60 Co O2' _space_group_IT_number 160 _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 2.831 _cell_length_b 2.831 _cell_length_c 16.53 _cell_volume 114.732 _citation_journal_id_ASTM JSSCBI _cod_data_source_file Fouassier_JSSCBI_1973_54.cif _cod_data_source_block Co1Na0.6O2 _cod_original_cell_volume 114.7317 _cod_original_formula_sum 'Co1 Na0.6 O2' _cod_database_code 1529124 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+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 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 0 0 0.618 1 0.0 O1 O 0 0 0.382 1 0.0 Co1 Co 0 0 0 1 0.0 Na1 Na 0 0 0.836 0.6 0.0