#------------------------------------------------------------------------------ #$Date: 2015-07-11 02:48:40 +0300 (Sat, 11 Jul 2015) $ #$Revision: 143809 $ #$URL: file:///home/coder/svn-repositories/cod/cif/1/52/31/1523196.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_1523196 loop_ _publ_author_name 'Aurivillius, B.' _publ_section_title ; X-ray studies of lead oxide fluoride and related compounds ; _journal_name_full 'Chemica Scripta' _journal_page_first 156 _journal_page_last 158 _journal_volume 10 _journal_year 1976 _chemical_formula_sum 'F2 O Pb2' _chemical_name_systematic 'Pb2 F2 O' _space_group_IT_number 137 _symmetry_space_group_name_Hall '-P 4ac 2a' _symmetry_space_group_name_H-M 'P 42/n m c :2' _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_formula_units_Z 4 _cell_length_a 8.1546 _cell_length_b 8.1546 _cell_length_c 5.7218 _cell_volume 380.485 _citation_journal_id_ASTM CSRPB9 _cod_data_source_file Aurivillius_CSRPB9_1976_510.cif _cod_data_source_block F2O1Pb2 _cod_original_cell_volume 380.4854 _cod_chemical_formula_sum_orig 'F2 O1 Pb2' _cod_database_code 1523196 loop_ _symmetry_equiv_pos_as_xyz x,y,z -y+1/2,x,z+1/2 -x+1/2,-y+1/2,z y,-x+1/2,z+1/2 x+1/2,-y,-z y+1/2,x+1/2,-z+1/2 -x,y+1/2,-z -y,-x,-z+1/2 -x,-y,-z y-1/2,-x,-z-1/2 x-1/2,y-1/2,-z -y,x-1/2,-z-1/2 -x-1/2,y,z -y-1/2,-x-1/2,z-1/2 x,-y-1/2,z y,x,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 F1 F-1 -0.043 0.043 0.25 1 0.0 O1 O-2 0.25 0.25 0.367 1 0.0 Pb1 Pb+2 0.25 0.0253 0.0602 1 0.0