#------------------------------------------------------------------------------ #$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176429 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/54/20/1542011.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_1542011 loop_ _publ_author_name 'Mentzen, B.F.' 'Latrach, A.' 'Garnier, P.' 'Boher, P.' 'Bouix, J.' _publ_section_title ; Structure cristalline de la phase haute temperature de Pb S O4 * 2 Pb O a 973K ; _journal_name_full 'Materials Research Bulletin' _journal_page_first 925 _journal_page_last 934 _journal_volume 19 _journal_year 1984 _chemical_formula_sum 'O6 Pb3 S' _chemical_name_systematic 'Pb (S O4) (Pb O)2' _space_group_IT_number 63 _symmetry_space_group_name_Hall '-C 2c 2' _symmetry_space_group_name_H-M 'C m c m' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 9.6782 _cell_length_b 11.9565 _cell_length_c 6.094 _cell_volume 705.182 _citation_journal_id_ASTM MRBUAC _cod_data_source_file Mentzen_MRBUAC_1984_1840.cif _cod_data_source_block O6Pb3S1 _cod_original_cell_volume 705.1818 _cod_original_formula_sum 'O6 Pb3 S1' _cod_database_code 1542011 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y,z+1/2 x,-y,-z -x,y,-z+1/2 -x,-y,-z x,y,-z-1/2 -x,y,z x,-y,z-1/2 x+1/2,y+1/2,z -x+1/2,-y+1/2,z+1/2 x+1/2,-y+1/2,-z -x+1/2,y+1/2,-z+1/2 -x+1/2,-y+1/2,-z x+1/2,y+1/2,-z-1/2 -x+1/2,y+1/2,z x+1/2,-y+1/2,z-1/2 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv O1 O-2 0.145 0 0 1 0.0 O2 O-2 0.5 0.2525 0.447 1 0.0 O3 O-2 0.377 0.1115 0.25 1 0.0 Pb2 Pb+2 0.2782 0.0992 0.75 1 0.0 Pb1 Pb+2 0 0.1003 0.25 1 0.0 S1 S+6 0.5 0.1819 0.25 1 0.0