The crystal structure described by Bi2PO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one P(1) atom. In the second O site, O(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O site, O(2) is bonded in a trigonal planar geometry to one Bi(1) and two equivalent Bi(2) atoms. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Bi(2) and one P(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one P(1) atom. In the sixth O site, O(5) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Bi2PO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.053
_cell_length_b   7.030
_cell_length_c   10.537
_cell_angle_alpha   71.835
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   496.381
_cell_formula_units_Z   4
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  0.897  0.746  0.974  1.0
  Bi  Bi1  1  0.397  0.254  0.526  1.0
  Bi  Bi2  1  0.103  0.254  0.026  1.0
  Bi  Bi3  1  0.603  0.746  0.474  1.0
  Bi  Bi4  1  0.377  0.605  0.182  1.0
  Bi  Bi5  1  0.877  0.395  0.318  1.0
  Bi  Bi6  1  0.623  0.395  0.818  1.0
  Bi  Bi7  1  0.123  0.605  0.682  1.0
  P  P8  1  0.069  0.870  0.331  1.0
  P  P9  1  0.569  0.130  0.169  1.0
  P  P10  1  0.931  0.130  0.669  1.0
  P  P11  1  0.431  0.870  0.831  1.0
  O  O12  1  0.070  0.491  0.120  1.0
  O  O13  1  0.570  0.509  0.380  1.0
  O  O14  1  0.930  0.509  0.880  1.0
  O  O15  1  0.430  0.491  0.620  1.0
  O  O16  1  0.706  0.578  0.138  1.0
  O  O17  1  0.206  0.422  0.362  1.0
  O  O18  1  0.294  0.422  0.862  1.0
  O  O19  1  0.794  0.578  0.638  1.0
  O  O20  1  0.148  0.833  0.202  1.0
  O  O21  1  0.648  0.167  0.298  1.0
  O  O22  1  0.852  0.167  0.798  1.0
  O  O23  1  0.352  0.833  0.702  1.0
  O  O24  1  0.207  0.815  0.452  1.0
  O  O25  1  0.707  0.185  0.048  1.0
  O  O26  1  0.793  0.185  0.548  1.0
  O  O27  1  0.293  0.815  0.952  1.0
  O  O28  1  0.892  0.728  0.372  1.0
  O  O29  1  0.392  0.272  0.128  1.0
  O  O30  1  0.108  0.272  0.628  1.0
  O  O31  1  0.608  0.728  0.872  1.0
  O  O32  1  0.018  0.094  0.286  1.0
  O  O33  1  0.518  0.906  0.214  1.0
  O  O34  1  0.982  0.906  0.714  1.0
  O  O35  1  0.482  0.094  0.786  1.0
[/CIF]
.
The crystal structure described by Bi2PO6 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and two equivalent O(1) atoms. In the second Bi site, Bi(2) is bonded in a 8-coordinate geometry to one O(3), one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(6) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one P(1) atom. In the second O site, O(1) is bonded to two equivalent Bi(1) and two equivalent Bi(2) atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. In the third O site, O(2) is bonded in a trigonal planar geometry to one Bi(1) and two equivalent Bi(2) atoms. In the fourth O site, O(3) is bonded in a distorted single-bond geometry to one Bi(2) and one P(1) atom. In the fifth O site, O(4) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one P(1) atom. In the sixth O site, O(5) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one P(1) atom. is represented by the CIF file [CIF]
data_Bi2PO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.053
_cell_length_b   7.030
_cell_length_c   10.537
_cell_angle_alpha   71.835
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   496.381
_cell_formula_units_Z   4
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  0.897  0.746  0.974  1.0
  Bi  Bi1  1  0.397  0.254  0.526  1.0
  Bi  Bi2  1  0.103  0.254  0.026  1.0
  Bi  Bi3  1  0.603  0.746  0.474  1.0
  Bi  Bi4  1  0.377  0.605  0.182  1.0
  Bi  Bi5  1  0.877  0.395  0.318  1.0
  Bi  Bi6  1  0.623  0.395  0.818  1.0
  Bi  Bi7  1  0.123  0.605  0.682  1.0
  P  P8  1  0.069  0.870  0.331  1.0
  P  P9  1  0.569  0.130  0.169  1.0
  P  P10  1  0.931  0.130  0.669  1.0
  P  P11  1  0.431  0.870  0.831  1.0
  O  O12  1  0.070  0.491  0.120  1.0
  O  O13  1  0.570  0.509  0.380  1.0
  O  O14  1  0.930  0.509  0.880  1.0
  O  O15  1  0.430  0.491  0.620  1.0
  O  O16  1  0.706  0.578  0.138  1.0
  O  O17  1  0.206  0.422  0.362  1.0
  O  O18  1  0.294  0.422  0.862  1.0
  O  O19  1  0.794  0.578  0.638  1.0
  O  O20  1  0.148  0.833  0.202  1.0
  O  O21  1  0.648  0.167  0.298  1.0
  O  O22  1  0.852  0.167  0.798  1.0
  O  O23  1  0.352  0.833  0.702  1.0
  O  O24  1  0.207  0.815  0.452  1.0
  O  O25  1  0.707  0.185  0.048  1.0
  O  O26  1  0.793  0.185  0.548  1.0
  O  O27  1  0.293  0.815  0.952  1.0
  O  O28  1  0.892  0.728  0.372  1.0
  O  O29  1  0.392  0.272  0.128  1.0
  O  O30  1  0.108  0.272  0.628  1.0
  O  O31  1  0.608  0.728  0.872  1.0
  O  O32  1  0.018  0.094  0.286  1.0
  O  O33  1  0.518  0.906  0.214  1.0
  O  O34  1  0.982  0.906  0.714  1.0
  O  O35  1  0.482  0.094  0.786  1.0
[/CIF]
.