The material described by BaPbO3 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 11-coordinate geometry to three equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Pb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles range from 17-23°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.150
_cell_length_b   6.150
_cell_length_c   6.131
_cell_angle_alpha   60.234
_cell_angle_beta   60.234
_cell_angle_gamma   89.750
_symmetry_Int_Tables_number   1
_cell_volume   165.492
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.256  0.256  0.995  1.0
  Ba  Ba1  1  0.744  0.744  0.005  1.0
  Pb  Pb2  1  0.500  0.000  0.500  1.0
  Pb  Pb3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.820  0.820  0.439  1.0
  O  O5  1  0.180  0.180  0.561  1.0
  O  O6  1  0.288  0.712  0.000  1.0
  O  O7  1  0.712  0.288  0.000  1.0
  O  O8  1  0.293  0.707  0.500  1.0
  O  O9  1  0.707  0.293  0.500  1.0
[/CIF]
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The material described by BaPbO3 is Orthorhombic Perovskite-like structured and crystallizes in the monoclinic C2/m space group. Ba(1) is bonded in a 11-coordinate geometry to three equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms. Pb(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form corner-sharing PbO6 octahedra. The corner-sharing octahedral tilt angles range from 17-23°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to three equivalent Ba(1) and two equivalent Pb(1) atoms. In the second O site, O(2) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and two equivalent Pb(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to four equivalent Ba(1) and two equivalent Pb(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_BaPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.150
_cell_length_b   6.150
_cell_length_c   6.131
_cell_angle_alpha   60.234
_cell_angle_beta   60.234
_cell_angle_gamma   89.750
_symmetry_Int_Tables_number   1
_cell_volume   165.492
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Ba  Ba0  1  0.256  0.256  0.995  1.0
  Ba  Ba1  1  0.744  0.744  0.005  1.0
  Pb  Pb2  1  0.500  0.000  0.500  1.0
  Pb  Pb3  1  0.000  0.500  0.500  1.0
  O  O4  1  0.820  0.820  0.439  1.0
  O  O5  1  0.180  0.180  0.561  1.0
  O  O6  1  0.288  0.712  0.000  1.0
  O  O7  1  0.712  0.288  0.000  1.0
  O  O8  1  0.293  0.707  0.500  1.0
  O  O9  1  0.707  0.293  0.500  1.0
[/CIF]
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