#------------------------------------------------------------------------------ #$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $ #$Revision: 176428 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/56/1525665.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_1525665 loop_ _publ_author_name 'Belokoneva, E.L.' 'Gurbanova, O.A.' 'Dimitrova, O.V.' _publ_section_title ; A new crystal structure of Pb3 (P O4)2 and its comparison with formula analogues ; _journal_name_full 'Zhurnal Neorganicheskoi Khimii' _journal_page_first 1448 _journal_page_last 1452 _journal_volume 45 _journal_year 2000 _chemical_formula_sum 'O8 P2 Pb3' _chemical_name_systematic 'Pb3 (P O4)2' _space_group_IT_number 15 _symmetry_space_group_name_Hall '-B 2b' _symmetry_space_group_name_H-M 'B 1 1 2/b' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 113 _cell_formula_units_Z 4 _cell_length_a 10.905 _cell_length_b 8.88 _cell_length_c 8.78 _cell_volume 782.635 _citation_journal_id_ASTM ZNOKAQ _cod_data_source_file Belokoneva_ZNOKAQ_2000_833.cif _cod_data_source_block O8P2Pb3 _cod_original_cell_volume 782.6349 _cod_original_sg_symbol_Hall '-C 2yc (-x,z,y)' _cod_database_code 1525665 loop_ _symmetry_equiv_pos_as_xyz x,y,z -x,-y+1/2,z -x,-y,-z x,y-1/2,-z x+1/2,y,z+1/2 -x+1/2,-y+1/2,z+1/2 -x+1/2,-y,-z+1/2 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 Pb1 Pb+2 0.5 0.25 0.086 1 0.0 P1 P+5 0.213 0.199 0.298 1 0.0 O2 O-2 0.33 0.157 0.839 1 0.0 Pb2 Pb+2 0.8539 0.56 0.953 1 0.0 O3 O-2 0.159 0.144 0.14 1 0.0 O1 O-2 0.157 0.057 0.418 1 0.0 O4 O-2 0.132 0.235 0.799 1 0.0