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(2) and four equivalent O(1) atoms to form distorted VO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-25°. Cr(1) is bonded to one O(1), two equivalent O(2), and three equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent V(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one V(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_VCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.424
_cell_length_c   13.907
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   390.105
_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  0.750  0.658  0.000  1.0
  V  V1  1  0.750  0.158  0.500  1.0
  V  V2  1  0.250  0.342  0.000  1.0
  V  V3  1  0.250  0.842  0.500  1.0
  Cr  Cr4  1  0.009  0.858  0.174  1.0
  Cr  Cr5  1  0.009  0.358  0.326  1.0
  Cr  Cr6  1  0.991  0.642  0.674  1.0
  Cr  Cr7  1  0.991  0.142  0.826  1.0
  Cr  Cr8  1  0.509  0.642  0.326  1.0
  Cr  Cr9  1  0.491  0.358  0.674  1.0
  Cr  Cr10  1  0.509  0.142  0.174  1.0
  Cr  Cr11  1  0.491  0.858  0.826  1.0
  O  O12  1  0.937  0.890  0.570  1.0
  O  O13  1  0.809  0.383  0.593  1.0
  O  O14  1  0.809  0.883  0.907  1.0
  O  O15  1  0.937  0.390  0.930  1.0
  O  O16  1  0.847  0.630  0.260  1.0
  O  O17  1  0.847  0.130  0.240  1.0
  O  O18  1  0.653  0.630  0.740  1.0
  O  O19  1  0.653  0.130  0.760  1.0
  O  O20  1  0.691  0.883  0.093  1.0
  O  O21  1  0.563  0.390  0.070  1.0
  O  O22  1  0.563  0.890  0.430  1.0
  O  O23  1  0.691  0.383  0.407  1.0
  O  O24  1  0.309  0.617  0.593  1.0
  O  O25  1  0.437  0.110  0.570  1.0
  O  O26  1  0.437  0.610  0.930  1.0
  O  O27  1  0.309  0.117  0.907  1.0
  O  O28  1  0.347  0.870  0.240  1.0
  O  O29  1  0.347  0.370  0.260  1.0
  O  O30  1  0.153  0.870  0.760  1.0
  O  O31  1  0.153  0.370  0.740  1.0
  O  O32  1  0.191  0.117  0.093  1.0
  O  O33  1  0.063  0.110  0.430  1.0
  O  O34  1  0.191  0.617  0.407  1.0
  O  O35  1  0.063  0.610  0.070  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(2) and four equivalent O(1) atoms to form distorted VO6 octahedra that share corners with four equivalent Cr(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-25°. Cr(1) is bonded to one O(1), two equivalent O(2), and three equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O6 octahedra, corners with four equivalent Cr(1)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 19-53°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to two equivalent V(1) and one Cr(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one V(1) and two equivalent Cr(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to three equivalent Cr(1) atoms. is represented by the CIF file [CIF]
data_VCr2O6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.172
_cell_length_b   5.424
_cell_length_c   13.907
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   390.105
_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  0.750  0.658  0.000  1.0
  V  V1  1  0.750  0.158  0.500  1.0
  V  V2  1  0.250  0.342  0.000  1.0
  V  V3  1  0.250  0.842  0.500  1.0
  Cr  Cr4  1  0.009  0.858  0.174  1.0
  Cr  Cr5  1  0.009  0.358  0.326  1.0
  Cr  Cr6  1  0.991  0.642  0.674  1.0
  Cr  Cr7  1  0.991  0.142  0.826  1.0
  Cr  Cr8  1  0.509  0.642  0.326  1.0
  Cr  Cr9  1  0.491  0.358  0.674  1.0
  Cr  Cr10  1  0.509  0.142  0.174  1.0
  Cr  Cr11  1  0.491  0.858  0.826  1.0
  O  O12  1  0.937  0.890  0.570  1.0
  O  O13  1  0.809  0.383  0.593  1.0
  O  O14  1  0.809  0.883  0.907  1.0
  O  O15  1  0.937  0.390  0.930  1.0
  O  O16  1  0.847  0.630  0.260  1.0
  O  O17  1  0.847  0.130  0.240  1.0
  O  O18  1  0.653  0.630  0.740  1.0
  O  O19  1  0.653  0.130  0.760  1.0
  O  O20  1  0.691  0.883  0.093  1.0
  O  O21  1  0.563  0.390  0.070  1.0
  O  O22  1  0.563  0.890  0.430  1.0
  O  O23  1  0.691  0.383  0.407  1.0
  O  O24  1  0.309  0.617  0.593  1.0
  O  O25  1  0.437  0.110  0.570  1.0
  O  O26  1  0.437  0.610  0.930  1.0
  O  O27  1  0.309  0.117  0.907  1.0
  O  O28  1  0.347  0.870  0.240  1.0
  O  O29  1  0.347  0.370  0.260  1.0
  O  O30  1  0.153  0.870  0.760  1.0
  O  O31  1  0.153  0.370  0.740  1.0
  O  O32  1  0.191  0.117  0.093  1.0
  O  O33  1  0.063  0.110  0.430  1.0
  O  O34  1  0.191  0.617  0.407  1.0
  O  O35  1  0.063  0.610  0.070  1.0
[/CIF]
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