#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/80/1008033.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_1008033 loop_ _publ_author_name 'Bacmann, M' _publ_section_title ; Structure cristalline du nouveau compose Co U~2~ O~8~ ; _journal_coden_ASTM ACBCAR _journal_name_full 'Acta Crystallographica B (24,1968-38,1982)' _journal_page_first 1570 _journal_page_last 1572 _journal_paper_doi 10.1107/S0567740873005066 _journal_volume 29 _journal_year 1973 _chemical_formula_structural 'Co3 U2 O8' _chemical_formula_sum 'Co3 O8 U2' _chemical_name_systematic 'Cobalt uranium oxide (3/2/8)' _space_group_IT_number 58 _symmetry_cell_setting orthorhombic _symmetry_Int_Tables_number 58 _symmetry_space_group_name_Hall '-P 2 2n' _symmetry_space_group_name_H-M 'P n n m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 2 _cell_length_a 5.11(1) _cell_length_b 10.3 _cell_length_c 6.15(1) _cell_volume 323.7 _refine_ls_R_factor_all 0.122 _cod_database_code 1008033 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z 1/2+x,1/2-y,1/2-z 1/2-x,1/2+y,1/2-z -x,-y,-z x,y,-z 1/2-x,1/2+y,1/2+z 1/2+x,1/2-y,1/2+z loop_ _atom_site_label _atom_site_type_symbol _atom_site_symmetry_multiplicity _atom_site_Wyckoff_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_attached_hydrogens _atom_site_calc_flag U1 U5+ 4 g 0.975(3) 0.272(1) 0. 1. 0 d Co1 Co2+ 4 e 0. 0. 0.270(7) 1. 0 d Co2 Co2+ 2 d 0. 0.5 0.5 1. 0 d O1 O2- 8 h 0.206(3) 0.369(4) 0.284(3) 1. 0 d O2 O2- 4 g 0.255(4) 0.576(5) 0. 1. 0 d O3 O2- 4 g 0.182(6) 0.099(4) 0. 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number U5+ 5.000 Co2+ 2.000 O2- -2.000