The material described by Cr3(PO4)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and edges with two equivalent 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  a cornercorner with one Cr(2)O6 octahedra and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the second O site, O(2) 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(3) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Cr3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.622
_cell_length_b   4.726
_cell_length_c   7.912
_cell_angle_alpha   54.898
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   324.980
_cell_formula_units_Z   2
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  0.365  0.181  0.925  1.0
  Cr  Cr1  1  0.135  0.181  0.425  1.0
  Cr  Cr2  1  0.635  0.819  0.075  1.0
  Cr  Cr3  1  0.865  0.819  0.575  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  P  P6  1  0.179  0.630  0.922  1.0
  P  P7  1  0.321  0.630  0.422  1.0
  P  P8  1  0.821  0.370  0.078  1.0
  P  P9  1  0.679  0.370  0.578  1.0
  O  O10  1  0.167  0.288  0.938  1.0
  O  O11  1  0.333  0.288  0.438  1.0
  O  O12  1  0.833  0.712  0.062  1.0
  O  O13  1  0.667  0.712  0.562  1.0
  O  O14  1  0.111  0.571  0.117  1.0
  O  O15  1  0.389  0.571  0.617  1.0
  O  O16  1  0.889  0.429  0.883  1.0
  O  O17  1  0.611  0.429  0.383  1.0
  O  O18  1  0.104  0.924  0.733  1.0
  O  O19  1  0.396  0.924  0.233  1.0
  O  O20  1  0.896  0.076  0.267  1.0
  O  O21  1  0.604  0.076  0.767  1.0
  O  O22  1  0.319  0.715  0.922  1.0
  O  O23  1  0.181  0.715  0.422  1.0
  O  O24  1  0.681  0.285  0.078  1.0
  O  O25  1  0.819  0.285  0.578  1.0
[/CIF]
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The material described by Cr3(PO4)2 crystallizes in the monoclinic P2_1/c space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), and two equivalent O(4) atoms. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and edges with two equivalent 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  a cornercorner with one Cr(2)O6 octahedra and  an edgeedge with one Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Cr(1), one Cr(2), and one P(1) atom. In the second O site, O(2) 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(3) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Cr(1) and one P(1) atom. is represented by the CIF card [CIF]
data_Cr3(PO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.622
_cell_length_b   4.726
_cell_length_c   7.912
_cell_angle_alpha   54.898
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   324.980
_cell_formula_units_Z   2
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  0.365  0.181  0.925  1.0
  Cr  Cr1  1  0.135  0.181  0.425  1.0
  Cr  Cr2  1  0.635  0.819  0.075  1.0
  Cr  Cr3  1  0.865  0.819  0.575  1.0
  Cr  Cr4  1  0.000  0.000  0.000  1.0
  Cr  Cr5  1  0.500  0.000  0.500  1.0
  P  P6  1  0.179  0.630  0.922  1.0
  P  P7  1  0.321  0.630  0.422  1.0
  P  P8  1  0.821  0.370  0.078  1.0
  P  P9  1  0.679  0.370  0.578  1.0
  O  O10  1  0.167  0.288  0.938  1.0
  O  O11  1  0.333  0.288  0.438  1.0
  O  O12  1  0.833  0.712  0.062  1.0
  O  O13  1  0.667  0.712  0.562  1.0
  O  O14  1  0.111  0.571  0.117  1.0
  O  O15  1  0.389  0.571  0.617  1.0
  O  O16  1  0.889  0.429  0.883  1.0
  O  O17  1  0.611  0.429  0.383  1.0
  O  O18  1  0.104  0.924  0.733  1.0
  O  O19  1  0.396  0.924  0.233  1.0
  O  O20  1  0.896  0.076  0.267  1.0
  O  O21  1  0.604  0.076  0.767  1.0
  O  O22  1  0.319  0.715  0.922  1.0
  O  O23  1  0.181  0.715  0.422  1.0
  O  O24  1  0.681  0.285  0.078  1.0
  O  O25  1  0.819  0.285  0.578  1.0
[/CIF]
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