#------------------------------------------------------------------------------ #$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $ #$Revision: 130149 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/00/10/1001048.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_1001048 loop_ _publ_author_name 'Levy-Clement, C' 'Michel, A' _publ_section_title ; Sur un oxyde double Cd Pb O~3~ de type c des oxydes de lanthanides ; _journal_coden_ASTM ANCPAC _journal_name_full 'Annales de Chimie (Paris) (Vol=Year)' _journal_page_first 275 _journal_page_last 281 _journal_volume 1972 _journal_year 1972 _chemical_formula_structural 'Cd Pb O3' _chemical_formula_sum 'Cd O3 Pb' _chemical_name_systematic 'Cadmium lead(IV) oxide - I' _space_group_IT_number 206 _symmetry_cell_setting cubic _symmetry_Int_Tables_number 206 _symmetry_space_group_name_Hall '-I 2b 2c 3' _symmetry_space_group_name_H-M 'I a -3' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 16 _cell_length_a 10.453(2) _cell_length_b 10.453(2) _cell_length_c 10.453(2) _cell_volume 1142.1 _refine_ls_R_factor_all 0.077 _cod_database_code 1001048 loop_ _symmetry_equiv_pos_as_xyz x,y,z x,-y,1/2-z 1/2-x,y,-z -x,1/2-y,z y,z,x -y,1/2-z,x y,-z,1/2-x 1/2-y,z,-x z,x,y 1/2-z,x,-y -z,1/2-x,y z,-x,1/2-y -x,-y,-z -x,y,1/2+z 1/2+x,-y,z x,1/2+y,-z -y,-z,-x y,1/2+z,-x -y,z,1/2+x 1/2+y,-z,x -z,-x,-y 1/2+z,-x,y z,1/2+x,-y -z,x,1/2+y 1/2+x,1/2+y,1/2+z 1/2+x,1/2-y,-z -x,1/2+y,1/2-z 1/2-x,-y,1/2+z 1/2+y,1/2+z,1/2+x 1/2-y,-z,1/2+x 1/2+y,1/2-z,-x -y,1/2+z,1/2-x 1/2+z,1/2+x,1/2+y -z,1/2+x,1/2-y 1/2-z,-x,1/2+y 1/2+z,1/2-x,-y 1/2-x,1/2-y,1/2-z 1/2-x,1/2+y,z x,1/2-y,1/2+z 1/2+x,y,1/2-z 1/2-y,1/2-z,1/2-x 1/2+y,z,1/2-x 1/2-y,1/2+z,x y,1/2-z,1/2+x 1/2-z,1/2-x,1/2-y z,1/2-x,1/2+y 1/2+z,x,1/2-y 1/2-z,1/2+x,y 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 Cd1 Cd2+ 8 b 0.25 0.25 0.25 0.5 0 d Cd2 Cd2+ 24 d -0.0313(7) 0. 0.25 0.5 0 d Pb1 Pb4+ 8 b 0.25 0.25 0.25 0.5 0 d Pb2 Pb4+ 24 d -0.0313(7) 0. 0.25 0.5 0 d O1 O2- 48 e 0.396(7) 0.163(5) 0.385(8) 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Cd2+ 2.000 Pb4+ 4.000 O2- -2.000