#------------------------------------------------------------------------------ #$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $ #$Revision: 35911 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/89/1008903.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_1008903 _chemical_name_systematic 'Tricobalt diuranium(V) oxide - HT' _chemical_formula_structural 'Co3 U2 O8' _chemical_formula_sum 'Co3 O8 U2' _publ_section_title ; Structures cristallines de Co3 U2 O8 a 300 K et 110 K ; loop_ _publ_author_name 'Bacmann, M' 'Lambert-Andron, B' _journal_name_full ; Physica Status Solidi, Sectio A: Applied Research ; _journal_coden_ASTM PSSABA _journal_volume 72 _journal_year 1982 _journal_page_first 833 _journal_page_last 837 _cell_length_a 5.11(1) _cell_length_b 10.3(0) _cell_length_c 6.15(1) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 323.7 _cell_formula_units_Z 2 _symmetry_space_group_name_H-M 'P n n m' _symmetry_Int_Tables_number 58 _symmetry_cell_setting orthorhombic 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_type_symbol _atom_type_oxidation_number U5+ 5.000 Co2+ 2.000 O2- -2.000 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 0.9600(24) 0.2699(10) 0. 1. 0 d Co1 Co2+ 4 e 0. 0. 0.2611(55) 1. 0 d Co2 Co2+ 2 d 0. 0.5 0.5 1. 0 d O1 O2- 8 h 0.2161(17) 0.3437(10) 0.2612(23) 1. 0 d O2 O2- 4 g 0.2841(27) 0.5818(14) 0. 1. 0 d O3 O2- 4 g 0.1884(18) 0.0981(15) 0. 1. 0 d _refine_ls_R_factor_all 0.025 _cod_database_code 1008903