The compound described by Cr2CoNi3(PO4)6 crystallizes in the trigonal R3 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form distorted CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Co(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Ni(1)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. Co(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Cr(1)O6 octahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Cr(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Cr(1)O6 octahedra. In the third Ni site, Ni(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface 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(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-55°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one Ni(2), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cr(2), one Ni(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(1), one Co(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cr(2), one Ni(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2CoNi3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.345
_cell_length_b   8.345
_cell_length_c   8.345
_cell_angle_alpha   61.959
_cell_angle_beta   61.959
_cell_angle_gamma   61.959
_symmetry_Int_Tables_number   1
_cell_volume   429.009
_cell_formula_units_Z   1
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  0.001  0.001  0.001  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Co  Co2  1  0.860  0.860  0.860  1.0
  Ni  Ni3  1  0.358  0.358  0.358  1.0
  Ni  Ni4  1  0.142  0.142  0.142  1.0
  Ni  Ni5  1  0.642  0.642  0.642  1.0
  P  P6  1  0.459  0.750  0.045  1.0
  P  P7  1  0.750  0.045  0.459  1.0
  P  P8  1  0.045  0.459  0.750  1.0
  P  P9  1  0.950  0.547  0.248  1.0
  P  P10  1  0.248  0.950  0.547  1.0
  P  P11  1  0.547  0.248  0.950  1.0
  O  O12  1  0.667  0.898  0.498  1.0
  O  O13  1  0.898  0.498  0.667  1.0
  O  O14  1  0.498  0.667  0.898  1.0
  O  O15  1  0.254  0.904  0.055  1.0
  O  O16  1  0.616  0.825  0.002  1.0
  O  O17  1  0.440  0.603  0.252  1.0
  O  O18  1  0.904  0.055  0.254  1.0
  O  O19  1  0.603  0.252  0.440  1.0
  O  O20  1  0.991  0.396  0.171  1.0
  O  O21  1  0.252  0.440  0.603  1.0
  O  O22  1  0.937  0.755  0.087  1.0
  O  O23  1  0.171  0.991  0.396  1.0
  O  O24  1  0.825  0.002  0.616  1.0
  O  O25  1  0.055  0.254  0.904  1.0
  O  O26  1  0.745  0.568  0.398  1.0
  O  O27  1  0.002  0.616  0.825  1.0
  O  O28  1  0.398  0.745  0.568  1.0
  O  O29  1  0.087  0.937  0.755  1.0
  O  O30  1  0.568  0.398  0.745  1.0
  O  O31  1  0.396  0.171  0.991  1.0
  O  O32  1  0.755  0.087  0.937  1.0
  O  O33  1  0.514  0.322  0.101  1.0
  O  O34  1  0.101  0.514  0.322  1.0
  O  O35  1  0.322  0.101  0.514  1.0
[/CIF]
.
The compound described by Cr2CoNi3(PO4)6 crystallizes in the trigonal R3 space group. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form distorted CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Co(1)O6 octahedra, and  a faceface with one Ni(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one Ni(1)O6 octahedra, and  a faceface with one Ni(3)O6 octahedra. Co(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Cr(1)O6 octahedra. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Cr(2)O6 octahedra. In the second Ni site, Ni(2) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Cr(1)O6 octahedra. In the third Ni site, Ni(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface 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(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 27-55°. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Cr(2)O6 octahedra,  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra,  a cornercorner with one Ni(2)O6 octahedra, and  a cornercorner with one Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 31-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Ni(3) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Cr(1), one Ni(2), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cr(2), one Ni(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Ni(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Cr(1), one Co(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cr(2), one Ni(3), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Ni(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Cr2CoNi3(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.345
_cell_length_b   8.345
_cell_length_c   8.345
_cell_angle_alpha   61.959
_cell_angle_beta   61.959
_cell_angle_gamma   61.959
_symmetry_Int_Tables_number   1
_cell_volume   429.009
_cell_formula_units_Z   1
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  0.001  0.001  0.001  1.0
  Cr  Cr1  1  0.500  0.500  0.500  1.0
  Co  Co2  1  0.860  0.860  0.860  1.0
  Ni  Ni3  1  0.358  0.358  0.358  1.0
  Ni  Ni4  1  0.142  0.142  0.142  1.0
  Ni  Ni5  1  0.642  0.642  0.642  1.0
  P  P6  1  0.459  0.750  0.045  1.0
  P  P7  1  0.750  0.045  0.459  1.0
  P  P8  1  0.045  0.459  0.750  1.0
  P  P9  1  0.950  0.547  0.248  1.0
  P  P10  1  0.248  0.950  0.547  1.0
  P  P11  1  0.547  0.248  0.950  1.0
  O  O12  1  0.667  0.898  0.498  1.0
  O  O13  1  0.898  0.498  0.667  1.0
  O  O14  1  0.498  0.667  0.898  1.0
  O  O15  1  0.254  0.904  0.055  1.0
  O  O16  1  0.616  0.825  0.002  1.0
  O  O17  1  0.440  0.603  0.252  1.0
  O  O18  1  0.904  0.055  0.254  1.0
  O  O19  1  0.603  0.252  0.440  1.0
  O  O20  1  0.991  0.396  0.171  1.0
  O  O21  1  0.252  0.440  0.603  1.0
  O  O22  1  0.937  0.755  0.087  1.0
  O  O23  1  0.171  0.991  0.396  1.0
  O  O24  1  0.825  0.002  0.616  1.0
  O  O25  1  0.055  0.254  0.904  1.0
  O  O26  1  0.745  0.568  0.398  1.0
  O  O27  1  0.002  0.616  0.825  1.0
  O  O28  1  0.398  0.745  0.568  1.0
  O  O29  1  0.087  0.937  0.755  1.0
  O  O30  1  0.568  0.398  0.745  1.0
  O  O31  1  0.396  0.171  0.991  1.0
  O  O32  1  0.755  0.087  0.937  1.0
  O  O33  1  0.514  0.322  0.101  1.0
  O  O34  1  0.101  0.514  0.322  1.0
  O  O35  1  0.322  0.101  0.514  1.0
[/CIF]
.