The compound described by BiPO4 crystallizes in the trigonal P3_121 space group. Bi(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Bi(1) 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   6.972
_cell_length_b   6.972
_cell_length_c   6.440
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   271.126
_cell_formula_units_Z   3
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  0.480  1.000  0.833  1.0
  Bi  Bi1  1  0.520  0.520  0.500  1.0
  Bi  Bi2  1  1.000  0.480  0.167  1.0
  P  P3  1  0.440  0.000  0.333  1.0
  P  P4  1  0.560  0.560  0.000  1.0
  P  P5  1  0.000  0.440  0.667  1.0
  O  O6  1  0.237  0.843  0.203  1.0
  O  O7  1  0.606  0.763  0.869  1.0
  O  O8  1  0.157  0.394  0.536  1.0
  O  O9  1  0.763  0.606  0.131  1.0
  O  O10  1  0.843  0.237  0.797  1.0
  O  O11  1  0.394  0.157  0.464  1.0
  O  O12  1  0.501  0.875  0.493  1.0
  O  O13  1  0.374  0.499  0.160  1.0
  O  O14  1  0.125  0.626  0.826  1.0
  O  O15  1  0.499  0.374  0.840  1.0
  O  O16  1  0.875  0.501  0.507  1.0
  O  O17  1  0.626  0.125  0.174  1.0
[/CIF]
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The compound described by BiPO4 crystallizes in the trigonal P3_121 space group. Bi(1) is bonded in a 8-coordinate geometry to four equivalent O(1) and four equivalent O(2) atoms. P(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted single-bond geometry to two equivalent Bi(1) and one P(1) atom. In the second O site, O(1) is bonded in a 2-coordinate geometry to two equivalent Bi(1) 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   6.972
_cell_length_b   6.972
_cell_length_c   6.440
_cell_angle_alpha   89.999
_cell_angle_beta   90.001
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   271.126
_cell_formula_units_Z   3
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  0.480  1.000  0.833  1.0
  Bi  Bi1  1  0.520  0.520  0.500  1.0
  Bi  Bi2  1  1.000  0.480  0.167  1.0
  P  P3  1  0.440  0.000  0.333  1.0
  P  P4  1  0.560  0.560  0.000  1.0
  P  P5  1  0.000  0.440  0.667  1.0
  O  O6  1  0.237  0.843  0.203  1.0
  O  O7  1  0.606  0.763  0.869  1.0
  O  O8  1  0.157  0.394  0.536  1.0
  O  O9  1  0.763  0.606  0.131  1.0
  O  O10  1  0.843  0.237  0.797  1.0
  O  O11  1  0.394  0.157  0.464  1.0
  O  O12  1  0.501  0.875  0.493  1.0
  O  O13  1  0.374  0.499  0.160  1.0
  O  O14  1  0.125  0.626  0.826  1.0
  O  O15  1  0.499  0.374  0.840  1.0
  O  O16  1  0.875  0.501  0.507  1.0
  O  O17  1  0.626  0.125  0.174  1.0
[/CIF]
.