The structure described by PbBiOPO4 crystallizes in the triclinic P-1 space group. Pb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms. Bi(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form BiO5 square pyramids that share corners with three equivalent P(1)O4 tetrahedra and  an edgeedge with one Bi(1)O5 square pyramid. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Bi(1)O5 square pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pb(1) and two equivalent Bi(1) atoms to form edge-sharing OBi2Pb2 tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pb(1), one Bi(1), and one P(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Pb(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Bi(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. is represented by the CIF file [CIF]
data_BiPPbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.914
_cell_length_b   7.101
_cell_length_c   7.106
_cell_angle_alpha   107.152
_cell_angle_beta   109.093
_cell_angle_gamma   101.516
_symmetry_Int_Tables_number   1
_cell_volume   254.579
_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
  Bi  Bi0  1  0.617  0.269  0.558  1.0
  Bi  Bi1  1  0.383  0.731  0.442  1.0
  P  P2  1  0.179  0.656  0.858  1.0
  P  P3  1  0.821  0.344  0.142  1.0
  Pb  Pb4  1  0.167  0.109  0.822  1.0
  Pb  Pb5  1  0.833  0.891  0.178  1.0
  O  O6  1  0.258  0.998  0.473  1.0
  O  O7  1  0.935  0.583  0.285  1.0
  O  O8  1  0.658  0.311  0.905  1.0
  O  O9  1  0.365  0.769  0.782  1.0
  O  O10  1  0.342  0.689  0.095  1.0
  O  O11  1  0.742  0.002  0.527  1.0
  O  O12  1  0.962  0.751  0.843  1.0
  O  O13  1  0.065  0.417  0.715  1.0
  O  O14  1  0.038  0.249  0.157  1.0
  O  O15  1  0.635  0.231  0.218  1.0
[/CIF]
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The structure described by PbBiOPO4 crystallizes in the triclinic P-1 space group. Pb(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), two equivalent O(1), and two equivalent O(5) atoms. Bi(1) is bonded to one O(2), one O(3), one O(4), and two equivalent O(1) atoms to form BiO5 square pyramids that share corners with three equivalent P(1)O4 tetrahedra and  an edgeedge with one Bi(1)O5 square pyramid. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with three equivalent Bi(1)O5 square pyramids. There are five inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Pb(1) and two equivalent Bi(1) atoms to form edge-sharing OBi2Pb2 tetrahedra. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Pb(1), one Bi(1), and one P(1) atom. In the third O site, O(3) is bonded in a 1-coordinate geometry to one Pb(1), one Bi(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Bi(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Pb(1) and one P(1) atom. is represented by the CIF file [CIF]
data_BiPPbO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.914
_cell_length_b   7.101
_cell_length_c   7.106
_cell_angle_alpha   107.152
_cell_angle_beta   109.093
_cell_angle_gamma   101.516
_symmetry_Int_Tables_number   1
_cell_volume   254.579
_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
  Bi  Bi0  1  0.617  0.269  0.558  1.0
  Bi  Bi1  1  0.383  0.731  0.442  1.0
  P  P2  1  0.179  0.656  0.858  1.0
  P  P3  1  0.821  0.344  0.142  1.0
  Pb  Pb4  1  0.167  0.109  0.822  1.0
  Pb  Pb5  1  0.833  0.891  0.178  1.0
  O  O6  1  0.258  0.998  0.473  1.0
  O  O7  1  0.935  0.583  0.285  1.0
  O  O8  1  0.658  0.311  0.905  1.0
  O  O9  1  0.365  0.769  0.782  1.0
  O  O10  1  0.342  0.689  0.095  1.0
  O  O11  1  0.742  0.002  0.527  1.0
  O  O12  1  0.962  0.751  0.843  1.0
  O  O13  1  0.065  0.417  0.715  1.0
  O  O14  1  0.038  0.249  0.157  1.0
  O  O15  1  0.635  0.231  0.218  1.0
[/CIF]
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