The material described by BiPO4 crystallizes in the monoclinic P2_1/m space group. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. is represented by the CIF file [CIF]
data_BiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.283
_cell_length_b   4.781
_cell_length_c   4.812
_cell_angle_alpha   85.104
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   166.913
_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  0.750  0.131  0.863  1.0
  Bi  Bi1  1  0.250  0.869  0.137  1.0
  P  P2  1  0.750  0.660  0.332  1.0
  P  P3  1  0.250  0.340  0.668  1.0
  O  O4  1  0.585  0.810  0.175  1.0
  O  O5  1  0.250  0.297  0.353  1.0
  O  O6  1  0.085  0.190  0.825  1.0
  O  O7  1  0.415  0.190  0.825  1.0
  O  O8  1  0.915  0.810  0.175  1.0
  O  O9  1  0.750  0.703  0.647  1.0
  O  O10  1  0.750  0.340  0.307  1.0
  O  O11  1  0.250  0.660  0.693  1.0
[/CIF]
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The material described by BiPO4 crystallizes in the monoclinic P2_1/m space group. Bi(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. P(1) is bonded in a tetrahedral geometry to one O(2), one O(3), and two equivalent O(1) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. is represented by the CIF file [CIF]
data_BiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.283
_cell_length_b   4.781
_cell_length_c   4.812
_cell_angle_alpha   85.104
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   166.913
_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  0.750  0.131  0.863  1.0
  Bi  Bi1  1  0.250  0.869  0.137  1.0
  P  P2  1  0.750  0.660  0.332  1.0
  P  P3  1  0.250  0.340  0.668  1.0
  O  O4  1  0.585  0.810  0.175  1.0
  O  O5  1  0.250  0.297  0.353  1.0
  O  O6  1  0.085  0.190  0.825  1.0
  O  O7  1  0.415  0.190  0.825  1.0
  O  O8  1  0.915  0.810  0.175  1.0
  O  O9  1  0.750  0.703  0.647  1.0
  O  O10  1  0.750  0.340  0.307  1.0
  O  O11  1  0.250  0.660  0.693  1.0
[/CIF]
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