The material described by V2CrO7 crystallizes in the cubic Pa-3 space group. V(1) is bonded to one O(1) and three equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 17°. Cr(1) is bonded to six equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one V(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_V2CrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.636
_cell_length_b   8.636
_cell_length_c   8.636
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   644.041
_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  0.119  0.881  0.381  1.0
  V  V1  1  0.119  0.619  0.881  1.0
  V  V2  1  0.381  0.381  0.381  1.0
  V  V3  1  0.381  0.119  0.881  1.0
  V  V4  1  0.619  0.619  0.619  1.0
  V  V5  1  0.619  0.881  0.119  1.0
  V  V6  1  0.881  0.119  0.619  1.0
  V  V7  1  0.881  0.381  0.119  1.0
  Cr  Cr8  1  0.000  0.000  0.000  1.0
  Cr  Cr9  1  0.000  0.500  0.500  1.0
  Cr  Cr10  1  0.500  0.000  0.500  1.0
  Cr  Cr11  1  0.500  0.500  0.000  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.000  0.500  0.000  1.0
  O  O14  1  0.062  0.692  0.407  1.0
  O  O15  1  0.062  0.808  0.907  1.0
  O  O16  1  0.093  0.562  0.692  1.0
  O  O17  1  0.093  0.938  0.192  1.0
  O  O18  1  0.192  0.093  0.938  1.0
  O  O19  1  0.192  0.407  0.438  1.0
  O  O20  1  0.308  0.593  0.938  1.0
  O  O21  1  0.308  0.907  0.438  1.0
  O  O22  1  0.407  0.062  0.692  1.0
  O  O23  1  0.407  0.438  0.192  1.0
  O  O24  1  0.438  0.308  0.907  1.0
  O  O25  1  0.438  0.192  0.407  1.0
  O  O26  1  0.500  0.500  0.500  1.0
  O  O27  1  0.500  0.000  0.000  1.0
  O  O28  1  0.562  0.692  0.093  1.0
  O  O29  1  0.562  0.808  0.593  1.0
  O  O30  1  0.593  0.562  0.808  1.0
  O  O31  1  0.593  0.938  0.308  1.0
  O  O32  1  0.692  0.093  0.562  1.0
  O  O33  1  0.692  0.407  0.062  1.0
  O  O34  1  0.808  0.593  0.562  1.0
  O  O35  1  0.808  0.907  0.062  1.0
  O  O36  1  0.907  0.062  0.808  1.0
  O  O37  1  0.907  0.438  0.308  1.0
  O  O38  1  0.938  0.192  0.093  1.0
  O  O39  1  0.938  0.308  0.593  1.0
[/CIF]
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The material described by V2CrO7 crystallizes in the cubic Pa-3 space group. V(1) is bonded to one O(1) and three equivalent O(2) atoms to form VO4 tetrahedra that share corners with three equivalent Cr(1)O6 octahedra and  a cornercorner with one V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 17°. Cr(1) is bonded to six equivalent O(2) atoms to form CrO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a linear geometry to one V(1) and one Cr(1) atom. is represented by the CIF file [CIF]
data_V2CrO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.636
_cell_length_b   8.636
_cell_length_c   8.636
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   644.041
_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  0.119  0.881  0.381  1.0
  V  V1  1  0.119  0.619  0.881  1.0
  V  V2  1  0.381  0.381  0.381  1.0
  V  V3  1  0.381  0.119  0.881  1.0
  V  V4  1  0.619  0.619  0.619  1.0
  V  V5  1  0.619  0.881  0.119  1.0
  V  V6  1  0.881  0.119  0.619  1.0
  V  V7  1  0.881  0.381  0.119  1.0
  Cr  Cr8  1  0.000  0.000  0.000  1.0
  Cr  Cr9  1  0.000  0.500  0.500  1.0
  Cr  Cr10  1  0.500  0.000  0.500  1.0
  Cr  Cr11  1  0.500  0.500  0.000  1.0
  O  O12  1  0.000  0.000  0.500  1.0
  O  O13  1  0.000  0.500  0.000  1.0
  O  O14  1  0.062  0.692  0.407  1.0
  O  O15  1  0.062  0.808  0.907  1.0
  O  O16  1  0.093  0.562  0.692  1.0
  O  O17  1  0.093  0.938  0.192  1.0
  O  O18  1  0.192  0.093  0.938  1.0
  O  O19  1  0.192  0.407  0.438  1.0
  O  O20  1  0.308  0.593  0.938  1.0
  O  O21  1  0.308  0.907  0.438  1.0
  O  O22  1  0.407  0.062  0.692  1.0
  O  O23  1  0.407  0.438  0.192  1.0
  O  O24  1  0.438  0.308  0.907  1.0
  O  O25  1  0.438  0.192  0.407  1.0
  O  O26  1  0.500  0.500  0.500  1.0
  O  O27  1  0.500  0.000  0.000  1.0
  O  O28  1  0.562  0.692  0.093  1.0
  O  O29  1  0.562  0.808  0.593  1.0
  O  O30  1  0.593  0.562  0.808  1.0
  O  O31  1  0.593  0.938  0.308  1.0
  O  O32  1  0.692  0.093  0.562  1.0
  O  O33  1  0.692  0.407  0.062  1.0
  O  O34  1  0.808  0.593  0.562  1.0
  O  O35  1  0.808  0.907  0.062  1.0
  O  O36  1  0.907  0.062  0.808  1.0
  O  O37  1  0.907  0.438  0.308  1.0
  O  O38  1  0.938  0.192  0.093  1.0
  O  O39  1  0.938  0.308  0.593  1.0
[/CIF]
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