data_global _amcsd_formula_title 'Bi0.5 O1.33 Pb0.5' loop_ _publ_author_name 'Sillen L' 'Aurivillius B' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 101 _journal_year 1939 _journal_page_first 483 _journal_page_last 495 _publ_section_title ; Oxide phases with a defect oxygen lattice _cod_database_code 1010021 ; _database_code_amcsd 0016960 _chemical_formula_sum '(Pb.5 Bi.5) O1.34' _cell_length_a 3.98 _cell_length_b 3.98 _cell_length_c 5.15 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 81.578 _exptl_crystal_density_diffrn 9.344 _symmetry_space_group_name_H-M 'P 4/n m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' 'y,x,-z' 'y,-x,-z' '1/2-y,1/2+x,z' 'x,-y,z' '1/2-x,1/2+y,-z' '1/2+x,1/2+y,-z' '-x,-y,z' '1/2+y,1/2+x,z' '-y,-x,-z' '-y,x,-z' '1/2+y,1/2-x,z' '-x,y,z' '1/2+x,1/2-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb1 0.00000 0.50000 0.21000 0.50000 Bi1 0.00000 0.50000 0.21000 0.50000 O1 0.00000 0.00000 0.00000 0.67000 O2 0.00000 0.50000 0.66000 0.67000