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 Crystallographic Information File (CIF) [CIF]
data_BiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.717
_cell_length_b   4.722
_cell_length_c   7.167
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.398
_symmetry_Int_Tables_number   1
_cell_volume   158.931
_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  0.866  0.864  0.500  1.0
  Bi  Bi1  1  0.134  0.136  1.000  1.0
  P  P2  1  0.346  0.342  0.500  1.0
  P  P3  1  0.654  0.658  0.000  1.0
  O  O4  1  0.193  0.188  0.332  1.0
  O  O5  1  0.687  0.339  1.000  1.0
  O  O6  1  0.807  0.812  0.832  1.0
  O  O7  1  0.807  0.811  0.168  1.0
  O  O8  1  0.193  0.189  0.668  1.0
  O  O9  1  0.313  0.661  0.500  1.0
  O  O10  1  0.666  0.309  0.500  1.0
  O  O11  1  0.334  0.691  1.000  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 Crystallographic Information File (CIF) [CIF]
data_BiPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.717
_cell_length_b   4.722
_cell_length_c   7.167
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   95.398
_symmetry_Int_Tables_number   1
_cell_volume   158.931
_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  0.866  0.864  0.500  1.0
  Bi  Bi1  1  0.134  0.136  1.000  1.0
  P  P2  1  0.346  0.342  0.500  1.0
  P  P3  1  0.654  0.658  0.000  1.0
  O  O4  1  0.193  0.188  0.332  1.0
  O  O5  1  0.687  0.339  1.000  1.0
  O  O6  1  0.807  0.812  0.832  1.0
  O  O7  1  0.807  0.811  0.168  1.0
  O  O8  1  0.193  0.189  0.668  1.0
  O  O9  1  0.313  0.661  0.500  1.0
  O  O10  1  0.666  0.309  0.500  1.0
  O  O11  1  0.334  0.691  1.000  1.0
[/CIF]
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