The compound described by CrPO4 crystallizes in the orthorhombic Imma space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-54°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(2) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. is represented by the CIF card [CIF]
data_CrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.883
_cell_length_b   8.883
_cell_length_c   8.883
_cell_angle_alpha   138.412
_cell_angle_beta   108.232
_cell_angle_gamma   86.514
_symmetry_Int_Tables_number   1
_cell_volume   424.892
_cell_formula_units_Z   6
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  0.884  0.884  0.500  1.0
  Cr  Cr1  1  0.616  0.116  1.000  1.0
  Cr  Cr2  1  0.116  0.116  0.500  1.0
  Cr  Cr3  1  0.384  0.884  0.000  1.0
  Cr  Cr4  1  0.500  0.000  0.500  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  P  P6  1  0.677  0.677  0.500  1.0
  P  P7  1  0.823  0.323  1.000  1.0
  P  P8  1  0.323  0.323  0.500  1.0
  P  P9  1  0.177  0.677  0.000  1.0
  P  P10  1  0.750  0.168  0.418  1.0
  P  P11  1  0.250  0.832  0.582  1.0
  O  O12  1  0.651  0.194  0.543  1.0
  O  O13  1  0.849  0.393  0.543  1.0
  O  O14  1  0.349  0.806  0.457  1.0
  O  O15  1  0.151  0.607  0.457  1.0
  O  O16  1  0.912  0.192  0.832  1.0
  O  O17  1  0.588  0.420  0.280  1.0
  O  O18  1  0.640  0.808  0.720  1.0
  O  O19  1  0.860  0.580  0.168  1.0
  O  O20  1  0.088  0.808  0.168  1.0
  O  O21  1  0.412  0.580  0.720  1.0
  O  O22  1  0.360  0.192  0.280  1.0
  O  O23  1  0.140  0.420  0.832  1.0
  O  O24  1  0.373  0.977  0.849  1.0
  O  O25  1  0.127  0.977  0.604  1.0
  O  O26  1  0.873  0.023  0.396  1.0
  O  O27  1  0.627  0.023  0.151  1.0
  O  O28  1  0.148  0.724  0.854  1.0
  O  O29  1  0.352  0.206  0.577  1.0
  O  O30  1  0.129  0.276  0.423  1.0
  O  O31  1  0.371  0.794  0.146  1.0
  O  O32  1  0.852  0.276  0.146  1.0
  O  O33  1  0.648  0.794  0.423  1.0
  O  O34  1  0.871  0.724  0.577  1.0
  O  O35  1  0.629  0.206  0.854  1.0
[/CIF]
.
The compound described by CrPO4 crystallizes in the orthorhombic Imma space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Cr(1)O6 octahedra, and  an edgeedge with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(4) atoms to form CrO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra, corners with two equivalent Cr(2)O6 octahedra, and  an edgeedge with one Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-54°. In the second P site, P(2) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-55°. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(2) atom. In the second O site, O(4) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. is represented by the CIF card [CIF]
data_CrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.883
_cell_length_b   8.883
_cell_length_c   8.883
_cell_angle_alpha   138.412
_cell_angle_beta   108.232
_cell_angle_gamma   86.514
_symmetry_Int_Tables_number   1
_cell_volume   424.892
_cell_formula_units_Z   6
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  0.884  0.884  0.500  1.0
  Cr  Cr1  1  0.616  0.116  1.000  1.0
  Cr  Cr2  1  0.116  0.116  0.500  1.0
  Cr  Cr3  1  0.384  0.884  0.000  1.0
  Cr  Cr4  1  0.500  0.000  0.500  1.0
  Cr  Cr5  1  0.000  0.500  0.500  1.0
  P  P6  1  0.677  0.677  0.500  1.0
  P  P7  1  0.823  0.323  1.000  1.0
  P  P8  1  0.323  0.323  0.500  1.0
  P  P9  1  0.177  0.677  0.000  1.0
  P  P10  1  0.750  0.168  0.418  1.0
  P  P11  1  0.250  0.832  0.582  1.0
  O  O12  1  0.651  0.194  0.543  1.0
  O  O13  1  0.849  0.393  0.543  1.0
  O  O14  1  0.349  0.806  0.457  1.0
  O  O15  1  0.151  0.607  0.457  1.0
  O  O16  1  0.912  0.192  0.832  1.0
  O  O17  1  0.588  0.420  0.280  1.0
  O  O18  1  0.640  0.808  0.720  1.0
  O  O19  1  0.860  0.580  0.168  1.0
  O  O20  1  0.088  0.808  0.168  1.0
  O  O21  1  0.412  0.580  0.720  1.0
  O  O22  1  0.360  0.192  0.280  1.0
  O  O23  1  0.140  0.420  0.832  1.0
  O  O24  1  0.373  0.977  0.849  1.0
  O  O25  1  0.127  0.977  0.604  1.0
  O  O26  1  0.873  0.023  0.396  1.0
  O  O27  1  0.627  0.023  0.151  1.0
  O  O28  1  0.148  0.724  0.854  1.0
  O  O29  1  0.352  0.206  0.577  1.0
  O  O30  1  0.129  0.276  0.423  1.0
  O  O31  1  0.371  0.794  0.146  1.0
  O  O32  1  0.852  0.276  0.146  1.0
  O  O33  1  0.648  0.794  0.423  1.0
  O  O34  1  0.871  0.724  0.577  1.0
  O  O35  1  0.629  0.206  0.854  1.0
[/CIF]
.