The material structure described by V3CrNi2(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(2)O6 octahedra. In the second V site, V(2) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(1)O6 octahedra. In the third V site, V(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(2)O6 octahedra. Cr(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(1)O6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one V(2)O6 octahedra, and  a faceface with one Cr(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one V(1)O6 octahedra, and  a faceface with one V(3)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 V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, and  a cornercorner with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-47°. 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 V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, and  a cornercorner with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(1), one Ni(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(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 Ni(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(3), one Ni(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. is represented by the CIF card [CIF]
data_V3CrNi2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.467
_cell_length_b   8.598
_cell_length_c   8.598
_cell_angle_alpha   60.000
_cell_angle_beta   59.487
_cell_angle_gamma   59.487
_symmetry_Int_Tables_number   1
_cell_volume   439.106
_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
  V  V0  1  0.072  0.643  0.643  1.0
  V  V1  1  0.427  0.858  0.858  1.0
  V  V2  1  0.925  0.358  0.358  1.0
  Cr  Cr3  1  0.577  0.141  0.141  1.0
  Ni  Ni4  1  1.000  0.000  0.000  1.0
  Ni  Ni5  1  0.498  0.501  0.501  1.0
  P  P6  1  0.252  0.249  0.542  1.0
  P  P7  1  0.252  0.956  0.249  1.0
  P  P8  1  0.252  0.542  0.956  1.0
  P  P9  1  0.748  0.457  0.044  1.0
  P  P10  1  0.748  0.044  0.751  1.0
  P  P11  1  0.748  0.751  0.457  1.0
  O  O12  1  0.067  0.111  0.316  1.0
  O  O13  1  0.067  0.506  0.111  1.0
  O  O14  1  0.067  0.316  0.506  1.0
  O  O15  1  0.232  0.086  0.742  1.0
  O  O16  1  0.438  0.185  0.387  1.0
  O  O17  1  0.269  0.412  0.564  1.0
  O  O18  1  0.232  0.939  0.086  1.0
  O  O19  1  0.269  0.755  0.412  1.0
  O  O20  1  0.564  0.618  0.999  1.0
  O  O21  1  0.269  0.564  0.755  1.0
  O  O22  1  0.778  0.260  0.053  1.0
  O  O23  1  0.564  0.999  0.818  1.0
  O  O24  1  0.438  0.990  0.185  1.0
  O  O25  1  0.232  0.742  0.939  1.0
  O  O26  1  0.719  0.446  0.241  1.0
  O  O27  1  0.438  0.387  0.990  1.0
  O  O28  1  0.719  0.241  0.594  1.0
  O  O29  1  0.778  0.053  0.910  1.0
  O  O30  1  0.719  0.594  0.446  1.0
  O  O31  1  0.564  0.818  0.618  1.0
  O  O32  1  0.778  0.910  0.260  1.0
  O  O33  1  0.933  0.681  0.502  1.0
  O  O34  1  0.933  0.502  0.884  1.0
  O  O35  1  0.933  0.884  0.681  1.0
[/CIF]
.
The material structure described by V3CrNi2(PO4)6 crystallizes in the trigonal R3 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to three equivalent O(4) and three equivalent O(8) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(2)O6 octahedra. In the second V site, V(2) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(1)O6 octahedra. In the third V site, V(3) is bonded to three equivalent O(1) and three equivalent O(7) atoms to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(2)O6 octahedra. Cr(1) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form CrO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and  a faceface with one Ni(1)O6 octahedra. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to three equivalent O(2) and three equivalent O(6) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one V(2)O6 octahedra, and  a faceface with one Cr(1)O6 octahedra. In the second Ni site, Ni(2) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form distorted NiO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a faceface with one V(1)O6 octahedra, and  a faceface with one V(3)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 V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, and  a cornercorner with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-47°. 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 V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra,  a cornercorner with one V(3)O6 octahedra,  a cornercorner with one Cr(1)O6 octahedra,  a cornercorner with one Ni(1)O6 octahedra, and  a cornercorner with one Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 25-50°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one V(2), one Ni(1), and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(1), one Ni(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(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 Ni(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(3), one Ni(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one P(2) atom. is represented by the CIF card [CIF]
data_V3CrNi2(PO4)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.467
_cell_length_b   8.598
_cell_length_c   8.598
_cell_angle_alpha   60.000
_cell_angle_beta   59.487
_cell_angle_gamma   59.487
_symmetry_Int_Tables_number   1
_cell_volume   439.106
_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
  V  V0  1  0.072  0.643  0.643  1.0
  V  V1  1  0.427  0.858  0.858  1.0
  V  V2  1  0.925  0.358  0.358  1.0
  Cr  Cr3  1  0.577  0.141  0.141  1.0
  Ni  Ni4  1  1.000  0.000  0.000  1.0
  Ni  Ni5  1  0.498  0.501  0.501  1.0
  P  P6  1  0.252  0.249  0.542  1.0
  P  P7  1  0.252  0.956  0.249  1.0
  P  P8  1  0.252  0.542  0.956  1.0
  P  P9  1  0.748  0.457  0.044  1.0
  P  P10  1  0.748  0.044  0.751  1.0
  P  P11  1  0.748  0.751  0.457  1.0
  O  O12  1  0.067  0.111  0.316  1.0
  O  O13  1  0.067  0.506  0.111  1.0
  O  O14  1  0.067  0.316  0.506  1.0
  O  O15  1  0.232  0.086  0.742  1.0
  O  O16  1  0.438  0.185  0.387  1.0
  O  O17  1  0.269  0.412  0.564  1.0
  O  O18  1  0.232  0.939  0.086  1.0
  O  O19  1  0.269  0.755  0.412  1.0
  O  O20  1  0.564  0.618  0.999  1.0
  O  O21  1  0.269  0.564  0.755  1.0
  O  O22  1  0.778  0.260  0.053  1.0
  O  O23  1  0.564  0.999  0.818  1.0
  O  O24  1  0.438  0.990  0.185  1.0
  O  O25  1  0.232  0.742  0.939  1.0
  O  O26  1  0.719  0.446  0.241  1.0
  O  O27  1  0.438  0.387  0.990  1.0
  O  O28  1  0.719  0.241  0.594  1.0
  O  O29  1  0.778  0.053  0.910  1.0
  O  O30  1  0.719  0.594  0.446  1.0
  O  O31  1  0.564  0.818  0.618  1.0
  O  O32  1  0.778  0.910  0.260  1.0
  O  O33  1  0.933  0.681  0.502  1.0
  O  O34  1  0.933  0.502  0.884  1.0
  O  O35  1  0.933  0.884  0.681  1.0
[/CIF]
.