The material structure described by PbSnO3 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. Sn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 15-27°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Pb(2) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded to two equivalent Pb(2) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OSn2Pb2 trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pb(1) and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Pb(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OSn2Pb2 trigonal pyramids. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Pb(2) and two equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_SnPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.838
_cell_length_b   8.187
_cell_length_c   11.820
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   564.941
_cell_formula_units_Z   8
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
  Sn  Sn0  1  0.249  0.250  0.125  1.0
  Sn  Sn1  1  0.249  0.750  0.125  1.0
  Sn  Sn2  1  0.251  0.750  0.625  1.0
  Sn  Sn3  1  0.251  0.250  0.625  1.0
  Sn  Sn4  1  0.749  0.750  0.375  1.0
  Sn  Sn5  1  0.749  0.250  0.375  1.0
  Sn  Sn6  1  0.751  0.250  0.875  1.0
  Sn  Sn7  1  0.751  0.750  0.875  1.0
  Pb  Pb8  1  0.231  0.500  0.372  1.0
  Pb  Pb9  1  0.227  0.000  0.379  1.0
  Pb  Pb10  1  0.273  0.000  0.879  1.0
  Pb  Pb11  1  0.269  0.500  0.872  1.0
  Pb  Pb12  1  0.731  0.500  0.128  1.0
  Pb  Pb13  1  0.727  0.000  0.121  1.0
  Pb  Pb14  1  0.773  0.000  0.621  1.0
  Pb  Pb15  1  0.769  0.500  0.628  1.0
  O  O16  1  0.000  0.216  0.000  1.0
  O  O17  1  0.000  0.784  0.000  1.0
  O  O18  1  0.000  0.202  0.500  1.0
  O  O19  1  0.000  0.798  0.500  1.0
  O  O20  1  0.030  0.288  0.261  1.0
  O  O21  1  0.030  0.712  0.261  1.0
  O  O22  1  0.206  0.500  0.590  1.0
  O  O23  1  0.226  0.000  0.661  1.0
  O  O24  1  0.274  0.000  0.161  1.0
  O  O25  1  0.294  0.500  0.090  1.0
  O  O26  1  0.470  0.288  0.761  1.0
  O  O27  1  0.470  0.712  0.761  1.0
  O  O28  1  0.500  0.202  0.000  1.0
  O  O29  1  0.500  0.798  0.000  1.0
  O  O30  1  0.500  0.784  0.500  1.0
  O  O31  1  0.500  0.216  0.500  1.0
  O  O32  1  0.530  0.712  0.239  1.0
  O  O33  1  0.530  0.288  0.239  1.0
  O  O34  1  0.706  0.500  0.910  1.0
  O  O35  1  0.726  0.000  0.839  1.0
  O  O36  1  0.774  0.000  0.339  1.0
  O  O37  1  0.794  0.500  0.410  1.0
  O  O38  1  0.970  0.288  0.739  1.0
  O  O39  1  0.970  0.712  0.739  1.0
[/CIF]
.
The material structure described by PbSnO3 crystallizes in the orthorhombic Pbam space group. There are two inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 4-coordinate geometry to two equivalent O(3) and two equivalent O(4) atoms. In the second Pb site, Pb(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms. Sn(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedral tilt angles range from 15-27°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to two equivalent Pb(2) and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded to two equivalent Pb(2) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OSn2Pb2 trigonal pyramids. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Pb(1) and two equivalent Sn(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Pb(1) and two equivalent Sn(1) atoms to form a mixture of distorted corner and edge-sharing OSn2Pb2 trigonal pyramids. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Pb(2) and two equivalent Sn(1) atoms. is represented by the CIF file [CIF]
data_SnPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.838
_cell_length_b   8.187
_cell_length_c   11.820
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   564.941
_cell_formula_units_Z   8
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
  Sn  Sn0  1  0.249  0.250  0.125  1.0
  Sn  Sn1  1  0.249  0.750  0.125  1.0
  Sn  Sn2  1  0.251  0.750  0.625  1.0
  Sn  Sn3  1  0.251  0.250  0.625  1.0
  Sn  Sn4  1  0.749  0.750  0.375  1.0
  Sn  Sn5  1  0.749  0.250  0.375  1.0
  Sn  Sn6  1  0.751  0.250  0.875  1.0
  Sn  Sn7  1  0.751  0.750  0.875  1.0
  Pb  Pb8  1  0.231  0.500  0.372  1.0
  Pb  Pb9  1  0.227  0.000  0.379  1.0
  Pb  Pb10  1  0.273  0.000  0.879  1.0
  Pb  Pb11  1  0.269  0.500  0.872  1.0
  Pb  Pb12  1  0.731  0.500  0.128  1.0
  Pb  Pb13  1  0.727  0.000  0.121  1.0
  Pb  Pb14  1  0.773  0.000  0.621  1.0
  Pb  Pb15  1  0.769  0.500  0.628  1.0
  O  O16  1  0.000  0.216  0.000  1.0
  O  O17  1  0.000  0.784  0.000  1.0
  O  O18  1  0.000  0.202  0.500  1.0
  O  O19  1  0.000  0.798  0.500  1.0
  O  O20  1  0.030  0.288  0.261  1.0
  O  O21  1  0.030  0.712  0.261  1.0
  O  O22  1  0.206  0.500  0.590  1.0
  O  O23  1  0.226  0.000  0.661  1.0
  O  O24  1  0.274  0.000  0.161  1.0
  O  O25  1  0.294  0.500  0.090  1.0
  O  O26  1  0.470  0.288  0.761  1.0
  O  O27  1  0.470  0.712  0.761  1.0
  O  O28  1  0.500  0.202  0.000  1.0
  O  O29  1  0.500  0.798  0.000  1.0
  O  O30  1  0.500  0.784  0.500  1.0
  O  O31  1  0.500  0.216  0.500  1.0
  O  O32  1  0.530  0.712  0.239  1.0
  O  O33  1  0.530  0.288  0.239  1.0
  O  O34  1  0.706  0.500  0.910  1.0
  O  O35  1  0.726  0.000  0.839  1.0
  O  O36  1  0.774  0.000  0.339  1.0
  O  O37  1  0.794  0.500  0.410  1.0
  O  O38  1  0.970  0.288  0.739  1.0
  O  O39  1  0.970  0.712  0.739  1.0
[/CIF]
.