#------------------------------------------------------------------------------ #$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $ #$Revision: 966 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/1008132.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_1008132 _chemical_name_systematic 'Cobalt uranate' _chemical_formula_structural 'Co U O4' _chemical_formula_sum 'Co O4 U' _publ_section_title ; Etude des uranates de cobalt et de manganese ; loop_ _publ_author_name 'Bertaut, E F' 'Delapalme, A' 'Forrat, F' 'Pauthenet, R' _journal_name_full 'Journal de Physique et du Radium' _journal_coden_ASTM JPRAAJ _journal_volume 23 _journal_year 1962 _journal_page_first 477 _journal_page_last 485 _cell_length_a 6.497 _cell_length_b 6.952 _cell_length_c 6.497 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 293.5 _cell_formula_units_Z 4 _symmetry_space_group_name_H-M 'I m m a' _symmetry_Int_Tables_number 74 _symmetry_cell_setting orthorhombic loop_ _symmetry_equiv_pos_as_xyz 'x,y,z' 'x,-y,-z' 'x,1/2+y,-z' 'x,1/2-y,z' '-x,-y,-z' '-x,y,z' '-x,1/2-y,z' '-x,1/2+y,-z' '1/2+x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2+x,-y,1/2+z' '1/2-x,1/2-y,1/2-z' '1/2-x,1/2+y,1/2+z' '1/2-x,-y,1/2+z' '1/2-x,y,1/2-z' loop_ _atom_type_symbol _atom_type_oxidation_number Co2+ 2.000 U6+ 6.000 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 Co1 Co2+ 4 b 0. 0. 0.5 1. 0 d U1 U6+ 4 c 0. 0.25 0.025(1) 1. 0 d O1 O2- 8 i 0.296(1) 0.25 0.033(1) 1. 0 d O2 O2- 8 h 0. -0.016(1) 0.201(1) 1. 0 d _refine_ls_R_factor_all 0.078 _cod_database_code 1008132