The material described by CrPO4 crystallizes in the monoclinic P2_1/c space group. Cr(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form distorted CrO5 square pyramids that share corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(1)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids and  an edgeedge with one Cr(1)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent 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   9.581
_cell_length_b   4.965
_cell_length_c   8.614
_cell_angle_alpha   56.177
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   340.394
_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  0.126  0.767  0.045  1.0
  Cr  Cr1  1  0.374  0.767  0.545  1.0
  Cr  Cr2  1  0.874  0.233  0.955  1.0
  Cr  Cr3  1  0.626  0.233  0.455  1.0
  P  P4  1  0.411  0.595  0.250  1.0
  P  P5  1  0.589  0.405  0.750  1.0
  P  P6  1  0.089  0.595  0.750  1.0
  P  P7  1  0.911  0.405  0.250  1.0
  O  O8  1  0.677  0.360  0.909  1.0
  O  O9  1  0.177  0.640  0.591  1.0
  O  O10  1  0.367  0.837  0.299  1.0
  O  O11  1  0.572  0.609  0.212  1.0
  O  O12  1  0.428  0.391  0.788  1.0
  O  O13  1  0.095  0.239  0.940  1.0
  O  O14  1  0.323  0.640  0.091  1.0
  O  O15  1  0.867  0.163  0.201  1.0
  O  O16  1  0.405  0.239  0.440  1.0
  O  O17  1  0.633  0.163  0.701  1.0
  O  O18  1  0.905  0.761  0.060  1.0
  O  O19  1  0.823  0.360  0.409  1.0
  O  O20  1  0.072  0.391  0.288  1.0
  O  O21  1  0.928  0.609  0.712  1.0
  O  O22  1  0.595  0.761  0.560  1.0
  O  O23  1  0.133  0.837  0.799  1.0
[/CIF]
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The material described by CrPO4 crystallizes in the monoclinic P2_1/c space group. Cr(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(4) atoms to form distorted CrO5 square pyramids that share corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Cr(1)O5 square pyramid, and  an edgeedge with one P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with three equivalent Cr(1)O5 square pyramids and  an edgeedge with one Cr(1)O5 square pyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Cr(1) and one P(1) atom. In the third O site, O(3) is bonded in a water-like geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent 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   9.581
_cell_length_b   4.965
_cell_length_c   8.614
_cell_angle_alpha   56.177
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   340.394
_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  0.126  0.767  0.045  1.0
  Cr  Cr1  1  0.374  0.767  0.545  1.0
  Cr  Cr2  1  0.874  0.233  0.955  1.0
  Cr  Cr3  1  0.626  0.233  0.455  1.0
  P  P4  1  0.411  0.595  0.250  1.0
  P  P5  1  0.589  0.405  0.750  1.0
  P  P6  1  0.089  0.595  0.750  1.0
  P  P7  1  0.911  0.405  0.250  1.0
  O  O8  1  0.677  0.360  0.909  1.0
  O  O9  1  0.177  0.640  0.591  1.0
  O  O10  1  0.367  0.837  0.299  1.0
  O  O11  1  0.572  0.609  0.212  1.0
  O  O12  1  0.428  0.391  0.788  1.0
  O  O13  1  0.095  0.239  0.940  1.0
  O  O14  1  0.323  0.640  0.091  1.0
  O  O15  1  0.867  0.163  0.201  1.0
  O  O16  1  0.405  0.239  0.440  1.0
  O  O17  1  0.633  0.163  0.701  1.0
  O  O18  1  0.905  0.761  0.060  1.0
  O  O19  1  0.823  0.360  0.409  1.0
  O  O20  1  0.072  0.391  0.288  1.0
  O  O21  1  0.928  0.609  0.712  1.0
  O  O22  1  0.595  0.761  0.560  1.0
  O  O23  1  0.133  0.837  0.799  1.0
[/CIF]
.