The compound described by CrPO4 crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Cr(1)O6 octahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. is represented by the CIF file [CIF]
data_CrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.739
_cell_length_b   8.727
_cell_length_c   6.426
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.770
_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  0.000  1.000  0.500  1.0
  Cr  Cr1  1  0.500  0.500  1.000  1.0
  Cr  Cr2  1  1.000  0.000  0.000  1.0
  Cr  Cr3  1  0.500  0.500  0.500  1.0
  P  P4  1  0.476  0.177  0.250  1.0
  P  P5  1  0.976  0.323  0.750  1.0
  P  P6  1  0.024  0.677  0.250  1.0
  P  P7  1  0.524  0.823  0.750  1.0
  O  O8  1  0.944  0.142  0.750  1.0
  O  O9  1  0.444  0.358  0.250  1.0
  O  O10  1  0.556  0.642  0.750  1.0
  O  O11  1  0.056  0.858  0.250  1.0
  O  O12  1  0.792  0.117  0.250  1.0
  O  O13  1  0.292  0.383  0.750  1.0
  O  O14  1  0.708  0.617  0.250  1.0
  O  O15  1  0.208  0.883  0.750  1.0
  O  O16  1  0.336  0.124  0.049  1.0
  O  O17  1  0.336  0.124  0.451  1.0
  O  O18  1  0.836  0.376  0.549  1.0
  O  O19  1  0.836  0.376  0.951  1.0
  O  O20  1  0.164  0.624  0.049  1.0
  O  O21  1  0.164  0.624  0.451  1.0
  O  O22  1  0.664  0.876  0.549  1.0
  O  O23  1  0.664  0.876  0.951  1.0
[/CIF]
.
The compound described by CrPO4 crystallizes in the orthorhombic Pnma space group. Cr(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with six equivalent P(1)O4 tetrahedra and edges with two equivalent Cr(1)O6 octahedra. P(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to two equivalent Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. is represented by the CIF file [CIF]
data_CrPO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.739
_cell_length_b   8.727
_cell_length_c   6.426
_cell_angle_alpha   90.000
_cell_angle_beta   90.001
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   265.770
_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  0.000  1.000  0.500  1.0
  Cr  Cr1  1  0.500  0.500  1.000  1.0
  Cr  Cr2  1  1.000  0.000  0.000  1.0
  Cr  Cr3  1  0.500  0.500  0.500  1.0
  P  P4  1  0.476  0.177  0.250  1.0
  P  P5  1  0.976  0.323  0.750  1.0
  P  P6  1  0.024  0.677  0.250  1.0
  P  P7  1  0.524  0.823  0.750  1.0
  O  O8  1  0.944  0.142  0.750  1.0
  O  O9  1  0.444  0.358  0.250  1.0
  O  O10  1  0.556  0.642  0.750  1.0
  O  O11  1  0.056  0.858  0.250  1.0
  O  O12  1  0.792  0.117  0.250  1.0
  O  O13  1  0.292  0.383  0.750  1.0
  O  O14  1  0.708  0.617  0.250  1.0
  O  O15  1  0.208  0.883  0.750  1.0
  O  O16  1  0.336  0.124  0.049  1.0
  O  O17  1  0.336  0.124  0.451  1.0
  O  O18  1  0.836  0.376  0.549  1.0
  O  O19  1  0.836  0.376  0.951  1.0
  O  O20  1  0.164  0.624  0.049  1.0
  O  O21  1  0.164  0.624  0.451  1.0
  O  O22  1  0.664  0.876  0.549  1.0
  O  O23  1  0.664  0.876  0.951  1.0
[/CIF]
.