The compound described by VCr2O4 is Spinel structured and crystallizes in the orthorhombic Imma space group. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one V(1), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of distorted edge and corner-sharing OVCr3 trigonal pyramids. In the second O site, O(2) is bonded to one V(1), one Cr(1), and two equivalent Cr(2) atoms to form a mixture of distorted edge and corner-sharing OVCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_VCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.019
_cell_length_b   6.261
_cell_length_c   6.015
_cell_angle_alpha   58.680
_cell_angle_beta   118.519
_cell_angle_gamma   121.391
_symmetry_Int_Tables_number   1
_cell_volume   158.547
_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  0.874  0.624  0.626  1.0
  V  V1  1  0.126  0.377  0.374  1.0
  Cr  Cr2  1  0.500  0.500  1.000  1.0
  Cr  Cr3  1  0.500  0.000  0.000  1.0
  Cr  Cr4  1  0.500  0.000  0.500  1.0
  Cr  Cr5  1  1.000  1.000  0.000  1.0
  O  O6  1  0.280  0.246  0.788  1.0
  O  O7  1  0.746  0.208  0.755  1.0
  O  O8  1  0.254  0.216  0.246  1.0
  O  O9  1  0.712  0.247  0.220  1.0
  O  O10  1  0.288  0.753  0.780  1.0
  O  O11  1  0.746  0.784  0.754  1.0
  O  O12  1  0.254  0.792  0.246  1.0
  O  O13  1  0.720  0.754  0.212  1.0
[/CIF]
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The compound described by VCr2O4 is Spinel structured and crystallizes in the orthorhombic Imma space group. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent Cr(1)O6 octahedra and corners with six equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Cr(1)O6 octahedra, and edges with four equivalent Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra, edges with two equivalent Cr(2)O6 octahedra, and edges with four equivalent Cr(1)O6 octahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to one V(1), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of distorted edge and corner-sharing OVCr3 trigonal pyramids. In the second O site, O(2) is bonded to one V(1), one Cr(1), and two equivalent Cr(2) atoms to form a mixture of distorted edge and corner-sharing OVCr3 trigonal pyramids. is represented by the CIF file [CIF]
data_VCr2O4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.019
_cell_length_b   6.261
_cell_length_c   6.015
_cell_angle_alpha   58.680
_cell_angle_beta   118.519
_cell_angle_gamma   121.391
_symmetry_Int_Tables_number   1
_cell_volume   158.547
_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  0.874  0.624  0.626  1.0
  V  V1  1  0.126  0.377  0.374  1.0
  Cr  Cr2  1  0.500  0.500  1.000  1.0
  Cr  Cr3  1  0.500  0.000  0.000  1.0
  Cr  Cr4  1  0.500  0.000  0.500  1.0
  Cr  Cr5  1  1.000  1.000  0.000  1.0
  O  O6  1  0.280  0.246  0.788  1.0
  O  O7  1  0.746  0.208  0.755  1.0
  O  O8  1  0.254  0.216  0.246  1.0
  O  O9  1  0.712  0.247  0.220  1.0
  O  O10  1  0.288  0.753  0.780  1.0
  O  O11  1  0.746  0.784  0.754  1.0
  O  O12  1  0.254  0.792  0.246  1.0
  O  O13  1  0.720  0.754  0.212  1.0
[/CIF]
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