The crystal structure described by VCr2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with six equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with six equivalent V(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the second Cr site, Cr(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one Cr(1), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.442
_cell_length_b   16.658
_cell_length_c   4.919
_cell_angle_alpha   90.000
_cell_angle_beta   89.998
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.001
_cell_formula_units_Z   4
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  1.000  0.388  0.250  1.0
  V  V1  1  0.000  0.612  0.750  1.0
  V  V2  1  0.500  0.112  0.750  1.0
  V  V3  1  0.500  0.888  0.250  1.0
  Cr  Cr4  1  1.000  0.050  0.250  1.0
  Cr  Cr5  1  0.000  0.282  0.750  1.0
  Cr  Cr6  1  1.000  0.718  0.250  1.0
  Cr  Cr7  1  1.000  0.950  0.750  1.0
  Cr  Cr8  1  0.500  0.218  0.250  1.0
  Cr  Cr9  1  0.500  0.550  0.250  1.0
  Cr  Cr10  1  0.500  0.782  0.750  1.0
  Cr  Cr11  1  0.500  0.450  0.750  1.0
  O  O12  1  0.240  0.041  0.592  1.0
  O  O13  1  0.240  0.959  0.092  1.0
  O  O14  1  0.275  0.206  0.587  1.0
  O  O15  1  0.275  0.794  0.087  1.0
  O  O16  1  0.225  0.372  0.570  1.0
  O  O17  1  0.225  0.628  0.070  1.0
  O  O18  1  0.275  0.128  0.070  1.0
  O  O19  1  0.275  0.872  0.570  1.0
  O  O20  1  0.225  0.294  0.087  1.0
  O  O21  1  0.225  0.706  0.587  1.0
  O  O22  1  0.260  0.459  0.092  1.0
  O  O23  1  0.260  0.541  0.592  1.0
  O  O24  1  0.740  0.459  0.408  1.0
  O  O25  1  0.740  0.541  0.908  1.0
  O  O26  1  0.775  0.294  0.413  1.0
  O  O27  1  0.775  0.706  0.913  1.0
  O  O28  1  0.725  0.128  0.430  1.0
  O  O29  1  0.725  0.872  0.930  1.0
  O  O30  1  0.775  0.372  0.930  1.0
  O  O31  1  0.775  0.628  0.430  1.0
  O  O32  1  0.725  0.206  0.913  1.0
  O  O33  1  0.725  0.794  0.413  1.0
  O  O34  1  0.760  0.041  0.908  1.0
  O  O35  1  0.760  0.959  0.408  1.0
[/CIF]
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The crystal structure described by VCr2O6 is Hydrophilite-derived structured and crystallizes in the orthorhombic Pbcn space group. V(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with six equivalent Cr(1)O6 octahedra, and edges with two equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CrO6 octahedra that share corners with two equivalent Cr(2)O6 octahedra, corners with six equivalent V(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the second Cr site, Cr(2) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with two equivalent Cr(1)O6 octahedra, corners with four equivalent Cr(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Cr(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Cr(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one V(1), one Cr(1), and one Cr(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.442
_cell_length_b   16.658
_cell_length_c   4.919
_cell_angle_alpha   90.000
_cell_angle_beta   89.998
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   364.001
_cell_formula_units_Z   4
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  1.000  0.388  0.250  1.0
  V  V1  1  0.000  0.612  0.750  1.0
  V  V2  1  0.500  0.112  0.750  1.0
  V  V3  1  0.500  0.888  0.250  1.0
  Cr  Cr4  1  1.000  0.050  0.250  1.0
  Cr  Cr5  1  0.000  0.282  0.750  1.0
  Cr  Cr6  1  1.000  0.718  0.250  1.0
  Cr  Cr7  1  1.000  0.950  0.750  1.0
  Cr  Cr8  1  0.500  0.218  0.250  1.0
  Cr  Cr9  1  0.500  0.550  0.250  1.0
  Cr  Cr10  1  0.500  0.782  0.750  1.0
  Cr  Cr11  1  0.500  0.450  0.750  1.0
  O  O12  1  0.240  0.041  0.592  1.0
  O  O13  1  0.240  0.959  0.092  1.0
  O  O14  1  0.275  0.206  0.587  1.0
  O  O15  1  0.275  0.794  0.087  1.0
  O  O16  1  0.225  0.372  0.570  1.0
  O  O17  1  0.225  0.628  0.070  1.0
  O  O18  1  0.275  0.128  0.070  1.0
  O  O19  1  0.275  0.872  0.570  1.0
  O  O20  1  0.225  0.294  0.087  1.0
  O  O21  1  0.225  0.706  0.587  1.0
  O  O22  1  0.260  0.459  0.092  1.0
  O  O23  1  0.260  0.541  0.592  1.0
  O  O24  1  0.740  0.459  0.408  1.0
  O  O25  1  0.740  0.541  0.908  1.0
  O  O26  1  0.775  0.294  0.413  1.0
  O  O27  1  0.775  0.706  0.913  1.0
  O  O28  1  0.725  0.128  0.430  1.0
  O  O29  1  0.725  0.872  0.930  1.0
  O  O30  1  0.775  0.372  0.930  1.0
  O  O31  1  0.775  0.628  0.430  1.0
  O  O32  1  0.725  0.206  0.913  1.0
  O  O33  1  0.725  0.794  0.413  1.0
  O  O34  1  0.760  0.041  0.908  1.0
  O  O35  1  0.760  0.959  0.408  1.0
[/CIF]
.