The crystal structure described by BiPO4 crystallizes in the monoclinic C2/c space group. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms. In the second Bi site, Bi(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one P(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Bi(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Bi(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Bi(3) and one P(1) atom. is represented by the CIF card [CIF]
data_BiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.614
_cell_length_b   9.614
_cell_length_c   18.187
_cell_angle_alpha   67.198
_cell_angle_beta   67.198
_cell_angle_gamma   34.581
_symmetry_Int_Tables_number   1
_cell_volume   871.958
_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
  Bi  Bi0  1  0.601  0.707  0.998  1.0
  Bi  Bi1  1  0.293  0.399  0.502  1.0
  Bi  Bi2  1  0.399  0.293  0.002  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  Bi  Bi4  1  0.707  0.601  0.498  1.0
  Bi  Bi5  1  0.681  0.319  0.750  1.0
  Bi  Bi6  1  0.319  0.681  0.250  1.0
  Bi  Bi7  1  0.000  0.000  0.500  1.0
  P  P8  1  0.418  0.450  0.123  1.0
  P  P9  1  0.837  0.883  0.401  1.0
  P  P10  1  0.582  0.550  0.877  1.0
  P  P11  1  0.883  0.837  0.901  1.0
  P  P12  1  0.450  0.418  0.623  1.0
  P  P13  1  0.550  0.582  0.377  1.0
  P  P14  1  0.163  0.117  0.599  1.0
  P  P15  1  0.117  0.163  0.099  1.0
  O  O16  1  0.791  0.391  0.928  1.0
  O  O17  1  0.365  0.054  0.083  1.0
  O  O18  1  0.391  0.791  0.428  1.0
  O  O19  1  0.940  0.841  0.468  1.0
  O  O20  1  0.363  0.807  0.908  1.0
  O  O21  1  0.939  0.917  0.317  1.0
  O  O22  1  0.159  0.060  0.032  1.0
  O  O23  1  0.108  0.552  0.915  1.0
  O  O24  1  0.060  0.159  0.532  1.0
  O  O25  1  0.946  0.635  0.417  1.0
  O  O26  1  0.516  0.432  0.898  1.0
  O  O27  1  0.451  0.334  0.714  1.0
  O  O28  1  0.635  0.946  0.917  1.0
  O  O29  1  0.552  0.108  0.415  1.0
  O  O30  1  0.209  0.609  0.072  1.0
  O  O31  1  0.484  0.568  0.102  1.0
  O  O32  1  0.334  0.451  0.214  1.0
  O  O33  1  0.841  0.940  0.968  1.0
  O  O34  1  0.432  0.516  0.398  1.0
  O  O35  1  0.549  0.666  0.286  1.0
  O  O36  1  0.448  0.892  0.585  1.0
  O  O37  1  0.807  0.363  0.408  1.0
  O  O38  1  0.892  0.448  0.085  1.0
  O  O39  1  0.917  0.939  0.817  1.0
  O  O40  1  0.054  0.365  0.583  1.0
  O  O41  1  0.609  0.209  0.572  1.0
  O  O42  1  0.666  0.549  0.786  1.0
  O  O43  1  0.193  0.637  0.592  1.0
  O  O44  1  0.637  0.193  0.092  1.0
  O  O45  1  0.083  0.061  0.183  1.0
  O  O46  1  0.061  0.083  0.683  1.0
  O  O47  1  0.568  0.484  0.602  1.0
[/CIF]
.
The crystal structure described by BiPO4 crystallizes in the monoclinic C2/c space group. There are three inequivalent Bi sites. In the first Bi site, Bi(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(6), one O(7), and two equivalent O(2) atoms. In the second Bi site, Bi(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form BiO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. In the third Bi site, Bi(3) is bonded in a 6-coordinate geometry to two equivalent O(5), two equivalent O(7), and two equivalent O(8) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-60°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Bi(2)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one P(1) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to two equivalent Bi(1) and one P(2) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Bi(1), one Bi(2), and one P(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Bi(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Bi(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Bi(1), one Bi(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted water-like geometry to one Bi(3) and one P(1) atom. is represented by the CIF card [CIF]
data_BiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.614
_cell_length_b   9.614
_cell_length_c   18.187
_cell_angle_alpha   67.198
_cell_angle_beta   67.198
_cell_angle_gamma   34.581
_symmetry_Int_Tables_number   1
_cell_volume   871.958
_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
  Bi  Bi0  1  0.601  0.707  0.998  1.0
  Bi  Bi1  1  0.293  0.399  0.502  1.0
  Bi  Bi2  1  0.399  0.293  0.002  1.0
  Bi  Bi3  1  0.000  0.000  0.000  1.0
  Bi  Bi4  1  0.707  0.601  0.498  1.0
  Bi  Bi5  1  0.681  0.319  0.750  1.0
  Bi  Bi6  1  0.319  0.681  0.250  1.0
  Bi  Bi7  1  0.000  0.000  0.500  1.0
  P  P8  1  0.418  0.450  0.123  1.0
  P  P9  1  0.837  0.883  0.401  1.0
  P  P10  1  0.582  0.550  0.877  1.0
  P  P11  1  0.883  0.837  0.901  1.0
  P  P12  1  0.450  0.418  0.623  1.0
  P  P13  1  0.550  0.582  0.377  1.0
  P  P14  1  0.163  0.117  0.599  1.0
  P  P15  1  0.117  0.163  0.099  1.0
  O  O16  1  0.791  0.391  0.928  1.0
  O  O17  1  0.365  0.054  0.083  1.0
  O  O18  1  0.391  0.791  0.428  1.0
  O  O19  1  0.940  0.841  0.468  1.0
  O  O20  1  0.363  0.807  0.908  1.0
  O  O21  1  0.939  0.917  0.317  1.0
  O  O22  1  0.159  0.060  0.032  1.0
  O  O23  1  0.108  0.552  0.915  1.0
  O  O24  1  0.060  0.159  0.532  1.0
  O  O25  1  0.946  0.635  0.417  1.0
  O  O26  1  0.516  0.432  0.898  1.0
  O  O27  1  0.451  0.334  0.714  1.0
  O  O28  1  0.635  0.946  0.917  1.0
  O  O29  1  0.552  0.108  0.415  1.0
  O  O30  1  0.209  0.609  0.072  1.0
  O  O31  1  0.484  0.568  0.102  1.0
  O  O32  1  0.334  0.451  0.214  1.0
  O  O33  1  0.841  0.940  0.968  1.0
  O  O34  1  0.432  0.516  0.398  1.0
  O  O35  1  0.549  0.666  0.286  1.0
  O  O36  1  0.448  0.892  0.585  1.0
  O  O37  1  0.807  0.363  0.408  1.0
  O  O38  1  0.892  0.448  0.085  1.0
  O  O39  1  0.917  0.939  0.817  1.0
  O  O40  1  0.054  0.365  0.583  1.0
  O  O41  1  0.609  0.209  0.572  1.0
  O  O42  1  0.666  0.549  0.786  1.0
  O  O43  1  0.193  0.637  0.592  1.0
  O  O44  1  0.637  0.193  0.092  1.0
  O  O45  1  0.083  0.061  0.183  1.0
  O  O46  1  0.061  0.083  0.683  1.0
  O  O47  1  0.568  0.484  0.602  1.0
[/CIF]
.