#------------------------------------------------------------------------------ #$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $ #$Revision: 77586 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/01/12/1011243.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_1011243 loop_ _publ_author_name 'Natta, G' 'Baccaredda, M' _publ_section_title 'Tetrossido di antimonio e antimoniati' _journal_coden_ASTM ZEKGAX _journal_name_full ; Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, Kristallchemie (-144,1977) ; _journal_page_first 271 _journal_page_last 296 _journal_volume 85 _journal_year 1933 _chemical_compound_source synthetic _chemical_formula_structural 'Pb2 Sb2 O7' _chemical_formula_sum 'O7 Pb2 Sb2' _chemical_name_mineral Bindheimite _chemical_name_systematic 'Lead diantimonate' _space_group_IT_number 227 _symmetry_cell_setting cubic _symmetry_space_group_name_Hall 'F 4d 2 3 -1d' _symmetry_space_group_name_H-M 'F d -3 m :1' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 8 _cell_length_a 10.44 _cell_length_b 10.44 _cell_length_c 10.44 _cell_volume 1137.9 _[local]_cod_cif_authors_sg_H-M 'F d -3 m S' _cod_database_code 1011243 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 1/4-x,1/4-y,1/4-z 1/4-y,1/4-z,1/4-x 1/4-z,1/4-x,1/4-y 1/4-x,1/4-z,1/4-y 1/4-y,1/4-x,1/4-z 1/4-z,1/4-y,1/4-x 1/4-x,1/4+y,1/4+z 1/4-y,1/4+z,1/4+x 1/4-z,1/4+x,1/4+y 1/4-x,1/4+z,1/4+y 1/4-y,1/4+x,1/4+z 1/4-z,1/4+y,1/4+x 1/4+x,1/4-y,1/4+z 1/4+y,1/4-z,1/4+x 1/4+z,1/4-x,1/4+y 1/4+x,1/4-z,1/4+y 1/4+y,1/4-x,1/4+z 1/4+z,1/4-y,1/4+x 1/4+x,1/4+y,1/4-z 1/4+y,1/4+z,1/4-x 1/4+z,1/4+x,1/4-y 1/4+x,1/4+z,1/4-y 1/4+y,1/4+x,1/4-z 1/4+z,1/4+y,1/4-x x,1/2+y,1/2+z 1/2+x,y,1/2+z 1/2+x,1/2+y,z y,1/2+z,1/2+x 1/2+y,z,1/2+x 1/2+y,1/2+z,x z,1/2+x,1/2+y 1/2+z,x,1/2+y 1/2+z,1/2+x,y x,1/2+z,1/2+y 1/2+x,z,1/2+y 1/2+x,1/2+z,y y,1/2+x,1/2+z 1/2+y,x,1/2+z 1/2+y,1/2+x,z z,1/2+y,1/2+x 1/2+z,y,1/2+x 1/2+z,1/2+y,x x,1/2-y,1/2-z 1/2+x,-y,1/2-z 1/2+x,1/2-y,-z y,1/2-z,1/2-x 1/2+y,-z,1/2-x 1/2+y,1/2-z,-x z,1/2-x,1/2-y 1/2+z,-x,1/2-y 1/2+z,1/2-x,-y x,1/2-z,1/2-y 1/2+x,-z,1/2-y 1/2+x,1/2-z,-y y,1/2-x,1/2-z 1/2+y,-x,1/2-z 1/2+y,1/2-x,-z z,1/2-y,1/2-x 1/2+z,-y,1/2-x 1/2+z,1/2-y,-x -x,1/2+y,1/2-z 1/2-x,y,1/2-z 1/2-x,1/2+y,-z -y,1/2+z,1/2-x 1/2-y,z,1/2-x 1/2-y,1/2+z,-x -z,1/2+x,1/2-y 1/2-z,x,1/2-y 1/2-z,1/2+x,-y -x,1/2+z,1/2-y 1/2-x,z,1/2-y 1/2-x,1/2+z,-y -y,1/2+x,1/2-z 1/2-y,x,1/2-z 1/2-y,1/2+x,-z -z,1/2+y,1/2-x 1/2-z,y,1/2-x 1/2-z,1/2+y,-x -x,1/2-y,1/2+z 1/2-x,-y,1/2+z 1/2-x,1/2-y,z -y,1/2-z,1/2+x 1/2-y,-z,1/2+x 1/2-y,1/2-z,x -z,1/2-x,1/2+y 1/2-z,-x,1/2+y 1/2-z,1/2-x,y -x,1/2-z,1/2+y 1/2-x,-z,1/2+y 1/2-x,1/2-z,y -y,1/2-x,1/2+z 1/2-y,-x,1/2+z 1/2-y,1/2-x,z -z,1/2-y,1/2+x 1/2-z,-y,1/2+x 1/2-z,1/2-y,x 1/4-x,3/4-y,3/4-z 3/4-x,1/4-y,3/4-z 3/4-x,3/4-y,1/4-z 1/4-y,3/4-z,3/4-x 3/4-y,1/4-z,3/4-x 3/4-y,3/4-z,1/4-x 1/4-z,3/4-x,3/4-y 3/4-z,1/4-x,3/4-y 3/4-z,3/4-x,1/4-y 1/4-x,3/4-z,3/4-y 3/4-x,1/4-z,3/4-y 3/4-x,3/4-z,1/4-y 1/4-y,3/4-x,3/4-z 3/4-y,1/4-x,3/4-z 3/4-y,3/4-x,1/4-z 1/4-z,3/4-y,3/4-x 3/4-z,1/4-y,3/4-x 3/4-z,3/4-y,1/4-x 1/4-x,3/4+y,3/4+z 3/4-x,1/4+y,3/4+z 3/4-x,3/4+y,1/4+z 1/4-y,3/4+z,3/4+x 3/4-y,1/4+z,3/4+x 3/4-y,3/4+z,1/4+x 1/4-z,3/4+x,3/4+y 3/4-z,1/4+x,3/4+y 3/4-z,3/4+x,1/4+y 1/4-x,3/4+z,3/4+y 3/4-x,1/4+z,3/4+y 3/4-x,3/4+z,1/4+y 1/4-y,3/4+x,3/4+z 3/4-y,1/4+x,3/4+z 3/4-y,3/4+x,1/4+z 1/4-z,3/4+y,3/4+x 3/4-z,1/4+y,3/4+x 3/4-z,3/4+y,1/4+x 1/4+x,3/4-y,3/4+z 3/4+x,1/4-y,3/4+z 3/4+x,3/4-y,1/4+z 1/4+y,3/4-z,3/4+x 3/4+y,1/4-z,3/4+x 3/4+y,3/4-z,1/4+x 1/4+z,3/4-x,3/4+y 3/4+z,1/4-x,3/4+y 3/4+z,3/4-x,1/4+y 1/4+x,3/4-z,3/4+y 3/4+x,1/4-z,3/4+y 3/4+x,3/4-z,1/4+y 1/4+y,3/4-x,3/4+z 3/4+y,1/4-x,3/4+z 3/4+y,3/4-x,1/4+z 1/4+z,3/4-y,3/4+x 3/4+z,1/4-y,3/4+x 3/4+z,3/4-y,1/4+x 1/4+x,3/4+y,3/4-z 3/4+x,1/4+y,3/4-z 3/4+x,3/4+y,1/4-z 1/4+y,3/4+z,3/4-x 3/4+y,1/4+z,3/4-x 3/4+y,3/4+z,1/4-x 1/4+z,3/4+x,3/4-y 3/4+z,1/4+x,3/4-y 3/4+z,3/4+x,1/4-y 1/4+x,3/4+z,3/4-y 3/4+x,1/4+z,3/4-y 3/4+x,3/4+z,1/4-y 1/4+y,3/4+x,3/4-z 3/4+y,1/4+x,3/4-z 3/4+y,3/4+x,1/4-z 1/4+z,3/4+y,3/4-x 3/4+z,1/4+y,3/4-x 3/4+z,3/4+y,1/4-x 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 Pb1 Pb2+ 16 d 0.625 0.625 0.625 1. 0 d Sb1 Sb5+ 16 c 0.125 0.125 0.125 1. 0 d O1 O2- 48 f 0.23 0. 0. 1. 0 d O2 O2- 8 a 0. 0. 0. 1. 0 d loop_ _atom_type_symbol _atom_type_oxidation_number Pb2+ 2.000 Sb5+ 5.000 O2- -2.000