#------------------------------------------------------------------------------ #$Date: 2015-07-07 00:11:14 +0300 (Tue, 07 Jul 2015) $ #$Revision: 140500 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/09/1520923.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_1520923 loop_ _publ_author_name 'Butel, M.' 'Gautier, L.' 'Delmas, C.' _publ_section_title ; Cobalt oxyhydroxides obtained by 'chimie douce' reactions: structure and electronic conductivity properties ; _journal_name_full 'Solid State Ionics' _journal_page_first 271 _journal_page_last 284 _journal_volume 122 _journal_year 1999 _chemical_formula_sum 'Co H0.79 K0.25 Na0.06 O2.3' _chemical_name_systematic 'H0.19 Na0.06 K0.25 Co O2 (H2 O)0.3' _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 2.83 _cell_length_b 2.83 _cell_length_c 20.3727 _cell_volume 141.303 _citation_journal_id_ASTM SSIOD3 _cod_data_source_file Butel_SSIOD3_1999_755.cif _cod_data_source_block H0.79Co1K0.25Na0.06O2.3 _cod_original_cell_volume 141.3032 _cod_chemical_formula_sum_orig 'H0.79 Co1 K0.25 Na0.06 O2.3' _cod_database_code 1520923 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 Co1 Co+3 0 0 0 1 0.0 Na1 Na+1 0 0 0.1727 0.06 0.0 O2 O-2 0 0 0.6179 1 0.0 O3 O-2 0 0 0.1428 0.3 0.0 K1 K+1 0 0 0.1727 0.25 0.0 O1 O-2 0 0 0.374 1 0.0