The structure described by CrPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and  an edgeedge with one Cr(2)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-60°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1), 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(2) and one P(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Cr(1) and one P(1) 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(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Cr(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(1) and 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   6.288
_cell_length_b   6.349
_cell_length_c   8.959
_cell_angle_alpha   92.166
_cell_angle_beta   110.444
_cell_angle_gamma   97.580
_symmetry_Int_Tables_number   1
_cell_volume   330.827
_cell_formula_units_Z   4
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  0.822  0.950  0.709  1.0
  Cr  Cr1  1  0.700  0.179  0.013  1.0
  Cr  Cr2  1  0.300  0.821  0.987  1.0
  Cr  Cr3  1  0.178  0.050  0.291  1.0
  P  P4  1  0.378  0.897  0.660  1.0
  P  P5  1  0.824  0.713  0.036  1.0
  P  P6  1  0.176  0.287  0.964  1.0
  P  P7  1  0.622  0.103  0.340  1.0
  O  O8  1  0.790  0.178  0.252  1.0
  O  O9  1  0.278  0.518  0.015  1.0
  O  O10  1  0.470  0.266  0.360  1.0
  O  O11  1  0.953  0.804  0.922  1.0
  O  O12  1  0.583  0.087  0.765  1.0
  O  O13  1  0.722  0.482  0.985  1.0
  O  O14  1  0.530  0.734  0.640  1.0
  O  O15  1  0.047  0.196  0.078  1.0
  O  O16  1  0.373  0.145  0.993  1.0
  O  O17  1  0.627  0.855  0.007  1.0
  O  O18  1  0.984  0.764  0.209  1.0
  O  O19  1  0.210  0.822  0.748  1.0
  O  O20  1  0.417  0.913  0.235  1.0
  O  O21  1  0.016  0.236  0.791  1.0
  O  O22  1  0.769  0.021  0.494  1.0
  O  O23  1  0.231  0.979  0.506  1.0
[/CIF]
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The structure described by CrPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra, and  an edgeedge with one Cr(2)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-55°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-60°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Cr(1), 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(2) and one P(2) atom. In the third O site, O(3) is bonded in an L-shaped geometry to one Cr(1) and one P(1) 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(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to two equivalent Cr(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(1) and 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   6.288
_cell_length_b   6.349
_cell_length_c   8.959
_cell_angle_alpha   92.166
_cell_angle_beta   110.444
_cell_angle_gamma   97.580
_symmetry_Int_Tables_number   1
_cell_volume   330.827
_cell_formula_units_Z   4
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  0.822  0.950  0.709  1.0
  Cr  Cr1  1  0.700  0.179  0.013  1.0
  Cr  Cr2  1  0.300  0.821  0.987  1.0
  Cr  Cr3  1  0.178  0.050  0.291  1.0
  P  P4  1  0.378  0.897  0.660  1.0
  P  P5  1  0.824  0.713  0.036  1.0
  P  P6  1  0.176  0.287  0.964  1.0
  P  P7  1  0.622  0.103  0.340  1.0
  O  O8  1  0.790  0.178  0.252  1.0
  O  O9  1  0.278  0.518  0.015  1.0
  O  O10  1  0.470  0.266  0.360  1.0
  O  O11  1  0.953  0.804  0.922  1.0
  O  O12  1  0.583  0.087  0.765  1.0
  O  O13  1  0.722  0.482  0.985  1.0
  O  O14  1  0.530  0.734  0.640  1.0
  O  O15  1  0.047  0.196  0.078  1.0
  O  O16  1  0.373  0.145  0.993  1.0
  O  O17  1  0.627  0.855  0.007  1.0
  O  O18  1  0.984  0.764  0.209  1.0
  O  O19  1  0.210  0.822  0.748  1.0
  O  O20  1  0.417  0.913  0.235  1.0
  O  O21  1  0.016  0.236  0.791  1.0
  O  O22  1  0.769  0.021  0.494  1.0
  O  O23  1  0.231  0.979  0.506  1.0
[/CIF]
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