The structure described by CrPO4 crystallizes in the monoclinic C2/c space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CrO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Cr(3)O6 octahedra. In the second Cr site, Cr(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. In the third Cr site, Cr(3) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form distorted CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Cr(1)O5 square pyramids. 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  a cornercorner with one Cr(3)O6 octahedra and corners with two equivalent Cr(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 51°. 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 corners with two equivalent Cr(3)O6 octahedra and corners with three equivalent Cr(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 44-49°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.210
_cell_length_b   9.210
_cell_length_c   15.920
_cell_angle_alpha   62.143
_cell_angle_beta   62.143
_cell_angle_gamma   31.053
_symmetry_Int_Tables_number   1
_cell_volume   609.169
_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
  Cr  Cr0  1  0.388  0.818  0.027  1.0
  Cr  Cr1  1  0.182  0.612  0.473  1.0
  Cr  Cr2  1  0.612  0.182  0.973  1.0
  Cr  Cr3  1  0.000  0.500  0.000  1.0
  Cr  Cr4  1  0.818  0.388  0.527  1.0
  Cr  Cr5  1  0.678  0.322  0.750  1.0
  Cr  Cr6  1  0.322  0.678  0.250  1.0
  Cr  Cr7  1  0.500  0.000  0.500  1.0
  P  P8  1  0.484  0.944  0.143  1.0
  P  P9  1  0.799  0.235  0.381  1.0
  P  P10  1  0.516  0.056  0.857  1.0
  P  P11  1  0.235  0.799  0.881  1.0
  P  P12  1  0.944  0.484  0.643  1.0
  P  P13  1  0.056  0.516  0.357  1.0
  P  P14  1  0.201  0.765  0.619  1.0
  P  P15  1  0.765  0.201  0.119  1.0
  O  O16  1  0.196  0.285  0.905  1.0
  O  O17  1  0.699  0.152  0.073  1.0
  O  O18  1  0.285  0.196  0.405  1.0
  O  O19  1  0.597  0.250  0.451  1.0
  O  O20  1  0.650  0.800  0.946  1.0
  O  O21  1  0.669  0.437  0.289  1.0
  O  O22  1  0.750  0.403  0.049  1.0
  O  O23  1  0.914  0.094  0.863  1.0
  O  O24  1  0.403  0.750  0.549  1.0
  O  O25  1  0.848  0.301  0.427  1.0
  O  O26  1  0.612  0.138  0.860  1.0
  O  O27  1  0.021  0.388  0.735  1.0
  O  O28  1  0.301  0.848  0.927  1.0
  O  O29  1  0.094  0.914  0.363  1.0
  O  O30  1  0.804  0.715  0.095  1.0
  O  O31  1  0.388  0.862  0.140  1.0
  O  O32  1  0.388  0.021  0.235  1.0
  O  O33  1  0.250  0.597  0.951  1.0
  O  O34  1  0.138  0.612  0.360  1.0
  O  O35  1  0.979  0.612  0.265  1.0
  O  O36  1  0.906  0.086  0.637  1.0
  O  O37  1  0.800  0.650  0.446  1.0
  O  O38  1  0.086  0.906  0.137  1.0
  O  O39  1  0.437  0.669  0.789  1.0
  O  O40  1  0.152  0.699  0.573  1.0
  O  O41  1  0.715  0.804  0.595  1.0
  O  O42  1  0.612  0.979  0.765  1.0
  O  O43  1  0.200  0.350  0.554  1.0
  O  O44  1  0.350  0.200  0.054  1.0
  O  O45  1  0.563  0.331  0.211  1.0
  O  O46  1  0.331  0.563  0.711  1.0
  O  O47  1  0.862  0.388  0.640  1.0
[/CIF]
.
The structure described by CrPO4 crystallizes in the monoclinic C2/c space group. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CrO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  an edgeedge with one Cr(3)O6 octahedra. In the second Cr site, Cr(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(4) atoms. In the third Cr site, Cr(3) is bonded to two equivalent O(5), two equivalent O(6), and two equivalent O(7) atoms to form distorted CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and edges with two equivalent Cr(1)O5 square pyramids. 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  a cornercorner with one Cr(3)O6 octahedra and corners with two equivalent Cr(1)O5 square pyramids. The corner-sharing octahedral tilt angles are 51°. 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 corners with two equivalent Cr(3)O6 octahedra and corners with three equivalent Cr(1)O5 square pyramids. The corner-sharing octahedral tilt angles range from 44-49°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Cr(3) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(1), one Cr(3), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(3), and one P(1) atom. In the eighth O site, O(8) is bonded in a single-bond geometry to one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.210
_cell_length_b   9.210
_cell_length_c   15.920
_cell_angle_alpha   62.143
_cell_angle_beta   62.143
_cell_angle_gamma   31.053
_symmetry_Int_Tables_number   1
_cell_volume   609.169
_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
  Cr  Cr0  1  0.388  0.818  0.027  1.0
  Cr  Cr1  1  0.182  0.612  0.473  1.0
  Cr  Cr2  1  0.612  0.182  0.973  1.0
  Cr  Cr3  1  0.000  0.500  0.000  1.0
  Cr  Cr4  1  0.818  0.388  0.527  1.0
  Cr  Cr5  1  0.678  0.322  0.750  1.0
  Cr  Cr6  1  0.322  0.678  0.250  1.0
  Cr  Cr7  1  0.500  0.000  0.500  1.0
  P  P8  1  0.484  0.944  0.143  1.0
  P  P9  1  0.799  0.235  0.381  1.0
  P  P10  1  0.516  0.056  0.857  1.0
  P  P11  1  0.235  0.799  0.881  1.0
  P  P12  1  0.944  0.484  0.643  1.0
  P  P13  1  0.056  0.516  0.357  1.0
  P  P14  1  0.201  0.765  0.619  1.0
  P  P15  1  0.765  0.201  0.119  1.0
  O  O16  1  0.196  0.285  0.905  1.0
  O  O17  1  0.699  0.152  0.073  1.0
  O  O18  1  0.285  0.196  0.405  1.0
  O  O19  1  0.597  0.250  0.451  1.0
  O  O20  1  0.650  0.800  0.946  1.0
  O  O21  1  0.669  0.437  0.289  1.0
  O  O22  1  0.750  0.403  0.049  1.0
  O  O23  1  0.914  0.094  0.863  1.0
  O  O24  1  0.403  0.750  0.549  1.0
  O  O25  1  0.848  0.301  0.427  1.0
  O  O26  1  0.612  0.138  0.860  1.0
  O  O27  1  0.021  0.388  0.735  1.0
  O  O28  1  0.301  0.848  0.927  1.0
  O  O29  1  0.094  0.914  0.363  1.0
  O  O30  1  0.804  0.715  0.095  1.0
  O  O31  1  0.388  0.862  0.140  1.0
  O  O32  1  0.388  0.021  0.235  1.0
  O  O33  1  0.250  0.597  0.951  1.0
  O  O34  1  0.138  0.612  0.360  1.0
  O  O35  1  0.979  0.612  0.265  1.0
  O  O36  1  0.906  0.086  0.637  1.0
  O  O37  1  0.800  0.650  0.446  1.0
  O  O38  1  0.086  0.906  0.137  1.0
  O  O39  1  0.437  0.669  0.789  1.0
  O  O40  1  0.152  0.699  0.573  1.0
  O  O41  1  0.715  0.804  0.595  1.0
  O  O42  1  0.612  0.979  0.765  1.0
  O  O43  1  0.200  0.350  0.554  1.0
  O  O44  1  0.350  0.200  0.054  1.0
  O  O45  1  0.563  0.331  0.211  1.0
  O  O46  1  0.331  0.563  0.711  1.0
  O  O47  1  0.862  0.388  0.640  1.0
[/CIF]
.