data_1010020
_chemical_name_systematic          'Lead bismuth oxide (.3/.7/1.3)'
_chemical_formula_structural       'Pb0.33 Bi0.67 O1.33'
_chemical_formula_sum              'Bi.67 O1.33 Pb.33'
_publ_section_title                'Oxide phases with a defect oxygen lattice'
loop_
_publ_author_name
  'Sillen, L G'
  'Aurivillius, B'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    101
_journal_year                      1939
_journal_page_first                483
_journal_page_last                 495
_cell_length_a                     4.05
_cell_length_b                     4.05
_cell_length_c                     4.9
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       80.4
_cell_formula_units_Z              2
_exptl_crystal_density_meas        9.33
_symmetry_space_group_name_H-M     'P 4/n m m S'
_symmetry_Int_Tables_number        129
_symmetry_cell_setting             tetragonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,z'
  '1/2+x,1/2+y,-z'
  '1/2-x,1/2-y,-z'
  '-x,y,z'
  'x,-y,z'
  '1/2-x,1/2+y,-z'
  '1/2+x,1/2-y,-z'
  '-y,x,-z'
  'y,-x,-z'
  '1/2-y,1/2+x,z'
  '1/2+y,1/2-x,z'
  'y,x,-z'
  '-y,-x,-z'
  '1/2+y,1/2+x,z'
  '1/2-y,1/2-x,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Pb2+   2.000
  Bi3+   3.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Pb1   Pb2+   2 c 0. 0.5 0.22 0.33  0 d
  Bi1   Bi3+   2 c 0. 0.5 0.22 0.67  0 d
  O1    O2-    2 a 0. 0. 0. 0.67  0 d
  O2    O2-    2 c 0. 0.5 0.66 0.67  0 d