The material described by Cr2(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-44°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-43°. In the third P site, P(3) is bonded to one O(11), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-41°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to 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(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Cr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.359
_cell_length_b   8.363
_cell_length_c   8.685
_cell_angle_alpha   118.046
_cell_angle_beta   89.959
_cell_angle_gamma   60.165
_symmetry_Int_Tables_number   1
_cell_volume   442.456
_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  0.352  0.782  0.921  1.0
  Cr  Cr1  1  0.147  0.213  0.565  1.0
  Cr  Cr2  1  0.648  0.218  0.079  1.0
  Cr  Cr3  1  0.853  0.787  0.435  1.0
  P  P4  1  0.253  0.280  0.251  1.0
  P  P5  1  0.747  0.720  0.749  1.0
  P  P6  1  0.030  0.005  0.753  1.0
  P  P7  1  0.469  0.283  0.743  1.0
  P  P8  1  0.531  0.717  0.257  1.0
  P  P9  1  0.970  0.995  0.247  1.0
  O  O10  1  0.287  0.231  0.404  1.0
  O  O11  1  0.288  0.078  0.074  1.0
  O  O12  1  0.010  0.166  0.702  1.0
  O  O13  1  0.601  0.670  0.779  1.0
  O  O14  1  0.989  0.842  0.614  1.0
  O  O15  1  0.046  0.477  0.305  1.0
  O  O16  1  0.299  0.254  0.729  1.0
  O  O17  1  0.355  0.899  0.430  1.0
  O  O18  1  0.011  0.158  0.386  1.0
  O  O19  1  0.519  0.295  0.916  1.0
  O  O20  1  0.954  0.523  0.695  1.0
  O  O21  1  0.886  0.142  0.946  1.0
  O  O22  1  0.713  0.769  0.596  1.0
  O  O23  1  0.990  0.834  0.298  1.0
  O  O24  1  0.645  0.101  0.570  1.0
  O  O25  1  0.712  0.922  0.926  1.0
  O  O26  1  0.600  0.500  0.242  1.0
  O  O27  1  0.237  0.870  0.759  1.0
  O  O28  1  0.399  0.330  0.221  1.0
  O  O29  1  0.763  0.130  0.241  1.0
  O  O30  1  0.481  0.705  0.084  1.0
  O  O31  1  0.701  0.746  0.271  1.0
  O  O32  1  0.400  0.500  0.758  1.0
  O  O33  1  0.114  0.858  0.054  1.0
[/CIF]
.
The material described by Cr2(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-44°. In the second P site, P(2) is bonded to one O(10), one O(12), one O(3), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-43°. In the third P site, P(3) is bonded to one O(11), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-41°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to 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(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted bent 150 degrees geometry to one Cr(1) and one P(2) atom. is represented by the CIF card [CIF]
data_Cr2(PO4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.359
_cell_length_b   8.363
_cell_length_c   8.685
_cell_angle_alpha   118.046
_cell_angle_beta   89.959
_cell_angle_gamma   60.165
_symmetry_Int_Tables_number   1
_cell_volume   442.456
_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  0.352  0.782  0.921  1.0
  Cr  Cr1  1  0.147  0.213  0.565  1.0
  Cr  Cr2  1  0.648  0.218  0.079  1.0
  Cr  Cr3  1  0.853  0.787  0.435  1.0
  P  P4  1  0.253  0.280  0.251  1.0
  P  P5  1  0.747  0.720  0.749  1.0
  P  P6  1  0.030  0.005  0.753  1.0
  P  P7  1  0.469  0.283  0.743  1.0
  P  P8  1  0.531  0.717  0.257  1.0
  P  P9  1  0.970  0.995  0.247  1.0
  O  O10  1  0.287  0.231  0.404  1.0
  O  O11  1  0.288  0.078  0.074  1.0
  O  O12  1  0.010  0.166  0.702  1.0
  O  O13  1  0.601  0.670  0.779  1.0
  O  O14  1  0.989  0.842  0.614  1.0
  O  O15  1  0.046  0.477  0.305  1.0
  O  O16  1  0.299  0.254  0.729  1.0
  O  O17  1  0.355  0.899  0.430  1.0
  O  O18  1  0.011  0.158  0.386  1.0
  O  O19  1  0.519  0.295  0.916  1.0
  O  O20  1  0.954  0.523  0.695  1.0
  O  O21  1  0.886  0.142  0.946  1.0
  O  O22  1  0.713  0.769  0.596  1.0
  O  O23  1  0.990  0.834  0.298  1.0
  O  O24  1  0.645  0.101  0.570  1.0
  O  O25  1  0.712  0.922  0.926  1.0
  O  O26  1  0.600  0.500  0.242  1.0
  O  O27  1  0.237  0.870  0.759  1.0
  O  O28  1  0.399  0.330  0.221  1.0
  O  O29  1  0.763  0.130  0.241  1.0
  O  O30  1  0.481  0.705  0.084  1.0
  O  O31  1  0.701  0.746  0.271  1.0
  O  O32  1  0.400  0.500  0.758  1.0
  O  O33  1  0.114  0.858  0.054  1.0
[/CIF]
.