The material structure described by V4CoNiO12 crystallizes in the monoclinic C2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-58°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-59°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Co(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Co(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one Co(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one Ni(1) atom. is represented by the CIF file [CIF]
data_V4CoNiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.874
_cell_length_b   6.798
_cell_length_c   6.798
_cell_angle_alpha   95.843
_cell_angle_beta   74.683
_cell_angle_gamma   105.315
_symmetry_Int_Tables_number   1
_cell_volume   252.359
_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  0.754  0.206  0.613  1.0
  V  V1  1  0.746  0.613  0.206  1.0
  V  V2  1  0.256  0.388  0.794  1.0
  V  V3  1  0.244  0.794  0.388  1.0
  Co  Co4  1  0.750  0.083  0.083  1.0
  Ni  Ni5  1  0.250  0.914  0.915  1.0
  O  O6  1  0.635  0.036  0.808  1.0
  O  O7  1  0.865  0.808  0.036  1.0
  O  O8  1  0.771  0.090  0.381  1.0
  O  O9  1  0.729  0.381  0.090  1.0
  O  O10  1  0.140  0.193  0.963  1.0
  O  O11  1  0.360  0.963  0.193  1.0
  O  O12  1  0.554  0.373  0.649  1.0
  O  O13  1  0.946  0.649  0.373  1.0
  O  O14  1  0.053  0.350  0.629  1.0
  O  O15  1  0.447  0.629  0.350  1.0
  O  O16  1  0.274  0.619  0.911  1.0
  O  O17  1  0.226  0.911  0.619  1.0
[/CIF]
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The material structure described by V4CoNiO12 crystallizes in the monoclinic C2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-58°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with two equivalent Ni(1)O6 octahedra, and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-59°. Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. Ni(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form NiO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Co(1), and one Ni(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one Co(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one V(2), one Co(1), and one Ni(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one Ni(1) atom. is represented by the CIF file [CIF]
data_V4CoNiO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.874
_cell_length_b   6.798
_cell_length_c   6.798
_cell_angle_alpha   95.843
_cell_angle_beta   74.683
_cell_angle_gamma   105.315
_symmetry_Int_Tables_number   1
_cell_volume   252.359
_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  0.754  0.206  0.613  1.0
  V  V1  1  0.746  0.613  0.206  1.0
  V  V2  1  0.256  0.388  0.794  1.0
  V  V3  1  0.244  0.794  0.388  1.0
  Co  Co4  1  0.750  0.083  0.083  1.0
  Ni  Ni5  1  0.250  0.914  0.915  1.0
  O  O6  1  0.635  0.036  0.808  1.0
  O  O7  1  0.865  0.808  0.036  1.0
  O  O8  1  0.771  0.090  0.381  1.0
  O  O9  1  0.729  0.381  0.090  1.0
  O  O10  1  0.140  0.193  0.963  1.0
  O  O11  1  0.360  0.963  0.193  1.0
  O  O12  1  0.554  0.373  0.649  1.0
  O  O13  1  0.946  0.649  0.373  1.0
  O  O14  1  0.053  0.350  0.629  1.0
  O  O15  1  0.447  0.629  0.350  1.0
  O  O16  1  0.274  0.619  0.911  1.0
  O  O17  1  0.226  0.911  0.619  1.0
[/CIF]
.