data_global _amcsd_formula_title 'Ba0.87 Bi K0.13 O3' loop_ _publ_author_name 'Wignacourt J' 'Swinnea J' 'Steinfink H' 'Goodenough J' _journal_name_full 'Applied Physics Letters' _journal_volume 53 _journal_year 1988 _journal_page_first 1753 _journal_page_last 1755 _publ_section_title ; Oxygen atom thermal vibration anisotropy in Ba0.87 K0.13 Bi O3. _cod_database_code 1004099 ; _database_code_amcsd 0012034 _chemical_formula_sum 'Bi (K.13 Ba.87) O3' _cell_length_a 4.3223 _cell_length_b 4.3223 _cell_length_c 4.3223 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 80.750 _exptl_crystal_density_diffrn 7.846 _symmetry_space_group_name_H-M 'P m 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' 'z,-x,y' '-y,z,-x' 'x,-y,z' '-z,x,-y' 'y,-z,x' '-x,y,-z' 'x,-z,-y' '-z,y,x' 'y,-x,-z' '-x,z,y' 'z,-y,-x' '-y,x,z' 'x,z,y' '-z,-y,-x' 'y,x,z' '-x,-z,-y' 'z,y,x' '-y,-x,-z' 'z,x,-y' '-y,-z,x' 'x,y,-z' '-z,-x,y' 'y,z,-x' '-x,-y,z' '-z,x,y' 'y,-z,-x' '-x,y,z' 'z,-x,-y' '-y,z,x' 'x,-y,-z' '-x,z,-y' 'z,-y,x' '-y,x,-z' 'x,-z,y' '-z,y,-x' 'y,-x,z' '-x,-z,y' 'z,y,-x' '-y,-x,z' 'x,z,-y' '-z,-y,x' 'y,x,-z' '-z,-x,-y' 'y,z,x' '-x,-y,-z' 'z,x,y' '-y,-z,-x' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Bi1 0.00000 0.00000 0.00000 0.43500 Bi2 0.00000 0.00000 0.00000 0.56500 K1 0.50000 0.50000 0.50000 0.13000 Ba1 0.50000 0.50000 0.50000 0.87000 O1 0.50000 0.00000 0.00000 1.00000 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Bi1 0.00750 0.00750 0.00750 0.00000 0.00000 0.00000 Bi2 0.00750 0.00750 0.00750 0.00000 0.00000 0.00000 K1 0.01380 0.01380 0.01380 0.00000 0.00000 0.00000 Ba1 0.01380 0.01380 0.01380 0.00000 0.00000 0.00000 O1 0.01540 0.06650 0.06650 0.00000 0.00000 0.00000