The material described by VCr2O4 is Spinel structured and crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form VO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(3)O6 octahedra, and corners with three equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the second V site, V(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(3)O6 octahedra, and corners with three equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. In the third Cr site, Cr(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one Cr(2), one Cr(3), and one Cr(4) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one V(2), one Cr(1), one Cr(2), and one Cr(4) atom. In the third O site, O(3) is bonded to one V(1), one Cr(1), one Cr(2), and one Cr(3) atom to form a mixture of distorted corner and edge-sharing OVCr3 trigonal pyramids. In the fourth O site, O(4) is bonded to one V(1), one Cr(1), one Cr(3), and one Cr(4) atom to form a mixture of distorted corner and edge-sharing OVCr3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one V(2), one Cr(1), one Cr(3), and one Cr(4) atom. In the sixth O site, O(6) is bonded to one V(2), one Cr(1), one Cr(2), and one Cr(3) atom to form a mixture of distorted corner and edge-sharing OVCr3 trigonal pyramids. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one V(1), one Cr(1), one Cr(2), and one Cr(4) atom. In the eighth O site, O(8) is bonded to one V(2), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of distorted corner and edge-sharing OVCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_VCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.079
_cell_length_b   6.084
_cell_length_c   6.127
_cell_angle_alpha   59.931
_cell_angle_beta   119.203
_cell_angle_gamma   120.353
_symmetry_Int_Tables_number   1
_cell_volume   160.648
_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
  V  V0  1  0.115  0.365  0.365  1.0
  V  V1  1  0.880  0.631  0.627  1.0
  Cr  Cr2  1  0.500  1.000  0.501  1.0
  Cr  Cr3  1  0.997  0.998  0.999  1.0
  Cr  Cr4  1  0.501  0.504  0.997  1.0
  Cr  Cr5  1  0.500  0.999  0.999  1.0
  O  O6  1  0.261  0.246  0.772  1.0
  O  O7  1  0.770  0.229  0.803  1.0
  O  O8  1  0.257  0.238  0.237  1.0
  O  O9  1  0.718  0.243  0.233  1.0
  O  O10  1  0.291  0.760  0.773  1.0
  O  O11  1  0.742  0.767  0.767  1.0
  O  O12  1  0.231  0.754  0.213  1.0
  O  O13  1  0.735  0.765  0.214  1.0
[/CIF]
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The material described by VCr2O4 is Spinel structured and crystallizes in the triclinic P1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form VO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(3)O6 octahedra, and corners with three equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the second V site, V(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra, corners with three equivalent Cr(2)O6 octahedra, corners with three equivalent Cr(3)O6 octahedra, and corners with three equivalent Cr(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-67°. There are four inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form CrO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. In the second Cr site, Cr(2) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(3)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. In the third Cr site, Cr(3) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(4)O6 octahedra. In the fourth Cr site, Cr(4) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with two equivalent Cr(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one Cr(2), one Cr(3), and one Cr(4) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one V(2), one Cr(1), one Cr(2), and one Cr(4) atom. In the third O site, O(3) is bonded to one V(1), one Cr(1), one Cr(2), and one Cr(3) atom to form a mixture of distorted corner and edge-sharing OVCr3 trigonal pyramids. In the fourth O site, O(4) is bonded to one V(1), one Cr(1), one Cr(3), and one Cr(4) atom to form a mixture of distorted corner and edge-sharing OVCr3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one V(2), one Cr(1), one Cr(3), and one Cr(4) atom. In the sixth O site, O(6) is bonded to one V(2), one Cr(1), one Cr(2), and one Cr(3) atom to form a mixture of distorted corner and edge-sharing OVCr3 trigonal pyramids. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one V(1), one Cr(1), one Cr(2), and one Cr(4) atom. In the eighth O site, O(8) is bonded to one V(2), one Cr(2), one Cr(3), and one Cr(4) atom to form a mixture of distorted corner and edge-sharing OVCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_VCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.079
_cell_length_b   6.084
_cell_length_c   6.127
_cell_angle_alpha   59.931
_cell_angle_beta   119.203
_cell_angle_gamma   120.353
_symmetry_Int_Tables_number   1
_cell_volume   160.648
_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
  V  V0  1  0.115  0.365  0.365  1.0
  V  V1  1  0.880  0.631  0.627  1.0
  Cr  Cr2  1  0.500  1.000  0.501  1.0
  Cr  Cr3  1  0.997  0.998  0.999  1.0
  Cr  Cr4  1  0.501  0.504  0.997  1.0
  Cr  Cr5  1  0.500  0.999  0.999  1.0
  O  O6  1  0.261  0.246  0.772  1.0
  O  O7  1  0.770  0.229  0.803  1.0
  O  O8  1  0.257  0.238  0.237  1.0
  O  O9  1  0.718  0.243  0.233  1.0
  O  O10  1  0.291  0.760  0.773  1.0
  O  O11  1  0.742  0.767  0.767  1.0
  O  O12  1  0.231  0.754  0.213  1.0
  O  O13  1  0.735  0.765  0.214  1.0
[/CIF]
.