The structure described by PbPO3 crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(3), one O(7), two equivalent O(1), and two equivalent O(5) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(2) atoms. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a trigonal non-coplanar geometry to one O(7) and two equivalent O(1) atoms. In the second P site, P(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(6) atom. In the third P site, P(3) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pb(2) and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pb(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Pb(3), two equivalent Pb(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Pb(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Pb(3), two equivalent Pb(1), and one P(1) atom. is represented by the CIF card [CIF]
data_PPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.190
_cell_length_b   9.190
_cell_length_c   8.196
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.892
_symmetry_Int_Tables_number   1
_cell_volume   671.926
_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
  P  P0  1  0.797  0.203  0.271  1.0
  P  P1  1  0.203  0.797  0.771  1.0
  P  P2  1  0.727  0.789  0.415  1.0
  P  P3  1  0.211  0.273  0.415  1.0
  P  P4  1  0.273  0.211  0.915  1.0
  P  P5  1  0.789  0.727  0.915  1.0
  P  P6  1  0.703  0.297  0.811  1.0
  P  P7  1  0.297  0.703  0.311  1.0
  Pb  Pb8  1  0.495  0.051  0.510  1.0
  Pb  Pb9  1  0.949  0.505  0.510  1.0
  Pb  Pb10  1  0.505  0.949  0.010  1.0
  Pb  Pb11  1  0.051  0.495  0.010  1.0
  Pb  Pb12  1  0.462  0.538  0.681  1.0
  Pb  Pb13  1  0.538  0.462  0.181  1.0
  Pb  Pb14  1  0.923  0.077  0.688  1.0
  Pb  Pb15  1  0.077  0.923  0.188  1.0
  O  O16  1  0.633  0.137  0.213  1.0
  O  O17  1  0.863  0.367  0.213  1.0
  O  O18  1  0.367  0.863  0.713  1.0
  O  O19  1  0.137  0.633  0.713  1.0
  O  O20  1  0.653  0.617  0.425  1.0
  O  O21  1  0.383  0.347  0.425  1.0
  O  O22  1  0.347  0.383  0.925  1.0
  O  O23  1  0.617  0.653  0.925  1.0
  O  O24  1  0.653  0.876  0.541  1.0
  O  O25  1  0.124  0.347  0.541  1.0
  O  O26  1  0.347  0.124  0.041  1.0
  O  O27  1  0.876  0.653  0.041  1.0
  O  O28  1  0.624  0.376  0.683  1.0
  O  O29  1  0.376  0.624  0.183  1.0
  O  O30  1  0.653  0.123  0.794  1.0
  O  O31  1  0.877  0.347  0.794  1.0
  O  O32  1  0.347  0.877  0.294  1.0
  O  O33  1  0.123  0.653  0.294  1.0
  O  O34  1  0.899  0.826  0.435  1.0
  O  O35  1  0.174  0.101  0.435  1.0
  O  O36  1  0.101  0.174  0.935  1.0
  O  O37  1  0.826  0.899  0.935  1.0
  O  O38  1  0.801  0.199  0.461  1.0
  O  O39  1  0.199  0.801  0.961  1.0
[/CIF]
.
The structure described by PbPO3 crystallizes in the orthorhombic Cmc2_1 space group. There are three inequivalent Pb sites. In the first Pb site, Pb(1) is bonded in a 6-coordinate geometry to one O(3), one O(7), two equivalent O(1), and two equivalent O(5) atoms. In the second Pb site, Pb(2) is bonded in a 5-coordinate geometry to one O(4) and four equivalent O(2) atoms. In the third Pb site, Pb(3) is bonded in a 5-coordinate geometry to one O(7), two equivalent O(5), and two equivalent O(6) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded in a trigonal non-coplanar geometry to one O(7) and two equivalent O(1) atoms. In the second P site, P(2) is bonded in a trigonal non-coplanar geometry to one O(2), one O(3), and one O(6) atom. In the third P site, P(3) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(5) atoms. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Pb(2) and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Pb(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Pb(2) and one P(3) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Pb(3), two equivalent Pb(1), and one P(3) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Pb(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Pb(3), two equivalent Pb(1), and one P(1) atom. is represented by the CIF card [CIF]
data_PPbO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.190
_cell_length_b   9.190
_cell_length_c   8.196
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   103.892
_symmetry_Int_Tables_number   1
_cell_volume   671.926
_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
  P  P0  1  0.797  0.203  0.271  1.0
  P  P1  1  0.203  0.797  0.771  1.0
  P  P2  1  0.727  0.789  0.415  1.0
  P  P3  1  0.211  0.273  0.415  1.0
  P  P4  1  0.273  0.211  0.915  1.0
  P  P5  1  0.789  0.727  0.915  1.0
  P  P6  1  0.703  0.297  0.811  1.0
  P  P7  1  0.297  0.703  0.311  1.0
  Pb  Pb8  1  0.495  0.051  0.510  1.0
  Pb  Pb9  1  0.949  0.505  0.510  1.0
  Pb  Pb10  1  0.505  0.949  0.010  1.0
  Pb  Pb11  1  0.051  0.495  0.010  1.0
  Pb  Pb12  1  0.462  0.538  0.681  1.0
  Pb  Pb13  1  0.538  0.462  0.181  1.0
  Pb  Pb14  1  0.923  0.077  0.688  1.0
  Pb  Pb15  1  0.077  0.923  0.188  1.0
  O  O16  1  0.633  0.137  0.213  1.0
  O  O17  1  0.863  0.367  0.213  1.0
  O  O18  1  0.367  0.863  0.713  1.0
  O  O19  1  0.137  0.633  0.713  1.0
  O  O20  1  0.653  0.617  0.425  1.0
  O  O21  1  0.383  0.347  0.425  1.0
  O  O22  1  0.347  0.383  0.925  1.0
  O  O23  1  0.617  0.653  0.925  1.0
  O  O24  1  0.653  0.876  0.541  1.0
  O  O25  1  0.124  0.347  0.541  1.0
  O  O26  1  0.347  0.124  0.041  1.0
  O  O27  1  0.876  0.653  0.041  1.0
  O  O28  1  0.624  0.376  0.683  1.0
  O  O29  1  0.376  0.624  0.183  1.0
  O  O30  1  0.653  0.123  0.794  1.0
  O  O31  1  0.877  0.347  0.794  1.0
  O  O32  1  0.347  0.877  0.294  1.0
  O  O33  1  0.123  0.653  0.294  1.0
  O  O34  1  0.899  0.826  0.435  1.0
  O  O35  1  0.174  0.101  0.435  1.0
  O  O36  1  0.101  0.174  0.935  1.0
  O  O37  1  0.826  0.899  0.935  1.0
  O  O38  1  0.801  0.199  0.461  1.0
  O  O39  1  0.199  0.801  0.961  1.0
[/CIF]
.