#------------------------------------------------------------------------------ #$Date: 2015-01-27 19:58:39 +0000 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: svn://www.crystallography.net/cod/cif/1/00/15/1001509.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_1001509 loop_ _publ_author_name 'Gasperin, M' 'Rebizant, J' 'Dancausse, J' 'Meyer, D' 'Cousson, A' _publ_section_title 'Structure de K~9~BiU~6~O~24~' _journal_coden_ASTM ACSCEE _journal_name_full 'Acta Crystallographica C (39,1983-)' _journal_page_first 2278 _journal_page_last 2279 _journal_volume 47 _journal_year 1991 _chemical_formula_structural 'K9 Bi U6 O24' _chemical_formula_sum 'Bi K9 O24 U6' _chemical_name_systematic 'Nonapotassium bismuth hexauranium oxide' _space_group_IT_number 221 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 221 _symmetry_space_group_name_Hall '-P 4 2 3' _symmetry_space_group_name_H-M 'P m -3 m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 1 _cell_length_a 8.631(1) _cell_length_b 8.631(1) _cell_length_c 8.631(1) _cell_volume 643.0 _refine_ls_R_factor_all 0.047 _cod_database_code 1001509 loop_ _symmetry_equiv_pos_as_xyz x,y,z y,z,x z,x,y x,z,y y,x,z z,y,x x,-y,-z y,-z,-x z,-x,-y x,-z,-y y,-x,-z z,-y,-x -x,y,-z -y,z,-x -z,x,-y -x,z,-y -y,x,-z -z,y,-x -x,-y,z -y,-z,x -z,-x,y -x,-z,y -y,-x,z -z,-y,x -x,-y,-z -y,-z,-x -z,-x,-y -x,-z,-y -y,-x,-z -z,-y,-x -x,y,z -y,z,x -z,x,y -x,z,y -y,x,z -z,y,x x,-y,z y,-z,x z,-x,y x,-z,y y,-x,z z,-y,x x,y,-z y,z,-x z,x,-y x,z,-y y,x,-z z,y,-x loop_ _atom_site_aniso_label _atom_site_aniso_B_11 _atom_site_aniso_B_12 _atom_site_aniso_B_13 _atom_site_aniso_B_22 _atom_site_aniso_B_23 _atom_site_aniso_B_33 U1 0.70(5) 0. 0. 0.41(3) 0. 0.41(3) U2 0.51(5) 0. 0. 0.37(3) 0. 0.37(3) Bi1 0.89(4) 0. 0. 0.89(4) 0. 0.89(4) K1 1.5(1) 0.2(1) 0.2(1) 1.5(1) 0.2(1) 1.5(1) O1 1.6(5) 0. 0. 1.7(5) 0. 0.8(5) O2 1.4(5) 0. 0. 0.9(8) 0. 1.4(5) O3 1.0(7) 0. 0. 1.8(5) 0. 1.8(5) K2 2.7(4) 0. 0. 2.7(4) 0. 2.7(4) 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 U6+ 3 d 0.5 0. 0. 1. 0 d U2 U6+ 3 c 0. 0.5 0.5 1. 0 d Bi1 Bi3+ 1 b 0.5 0.5 0.5 1. 0 d K1 K1+ 8 g 0.2478(3) 0.2478(3) 0.2478(3) 1. 0 d O1 O2- 12 h 0.5 0. 0.254(1) 1. 0 d O2 O2- 6 f 0.5 0.232(2) 0.5 1. 0 d O3 O2- 6 e 0.282(2) 0. 0. 1. 0 d K2 K1+ 1 a 0. 0. 0. 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number U6+ 6.000 Bi3+ 3.000 K1+ 1.000 O2- -2.000