The material described by CrVO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-62°. In the second V site, V(2) is bonded to two equivalent O(2) and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-58°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O4 tetrahedra, and edges with two equivalent Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded to one V(1), one Cr(1), and two equivalent Cr(2) atoms to form distorted edge-sharing OVCr3 tetrahedra. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.596
_cell_length_b   6.596
_cell_length_c   6.829
_cell_angle_alpha   77.059
_cell_angle_beta   77.059
_cell_angle_gamma   84.116
_symmetry_Int_Tables_number   1
_cell_volume   281.780
_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  0.727  0.727  0.398  1.0
  V  V1  1  0.273  0.273  0.602  1.0
  V  V2  1  0.749  0.251  1.000  1.0
  V  V3  1  0.251  0.749  1.000  1.0
  Cr  Cr4  1  0.202  0.202  0.143  1.0
  Cr  Cr5  1  0.798  0.798  0.857  1.0
  Cr  Cr6  1  0.820  0.180  0.500  1.0
  Cr  Cr7  1  0.180  0.820  0.500  1.0
  O  O8  1  0.204  0.526  0.527  1.0
  O  O9  1  0.474  0.796  0.473  1.0
  O  O10  1  0.796  0.474  0.473  1.0
  O  O11  1  0.526  0.204  0.527  1.0
  O  O12  1  0.107  0.802  0.798  1.0
  O  O13  1  0.198  0.893  0.202  1.0
  O  O14  1  0.893  0.198  0.202  1.0
  O  O15  1  0.802  0.107  0.798  1.0
  O  O16  1  0.861  0.861  0.541  1.0
  O  O17  1  0.139  0.139  0.459  1.0
  O  O18  1  0.206  0.206  0.862  1.0
  O  O19  1  0.794  0.794  0.138  1.0
  O  O20  1  0.793  0.500  0.889  1.0
  O  O21  1  0.207  0.500  0.111  1.0
  O  O22  1  0.500  0.207  0.111  1.0
  O  O23  1  0.500  0.793  0.889  1.0
[/CIF]
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The material described by CrVO4 crystallizes in the monoclinic C2/m space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form VO4 tetrahedra that share corners with two equivalent Cr(1)O6 octahedra and corners with four equivalent Cr(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 18-62°. In the second V site, V(2) is bonded to two equivalent O(2) and two equivalent O(5) atoms to form VO4 tetrahedra that share corners with two equivalent Cr(2)O6 octahedra and corners with four equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 20-58°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form CrO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra, corners with four equivalent V(2)O4 tetrahedra, and edges with two equivalent Cr(2)O6 octahedra. In the second Cr site, Cr(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form CrO6 octahedra that share corners with two equivalent V(2)O4 tetrahedra, corners with four equivalent V(1)O4 tetrahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Cr(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one Cr(2) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(2), one Cr(1), and one Cr(2) atom. In the third O site, O(3) is bonded to one V(1), one Cr(1), and two equivalent Cr(2) atoms to form distorted edge-sharing OVCr3 tetrahedra. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one Cr(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VCrO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.596
_cell_length_b   6.596
_cell_length_c   6.829
_cell_angle_alpha   77.059
_cell_angle_beta   77.059
_cell_angle_gamma   84.116
_symmetry_Int_Tables_number   1
_cell_volume   281.780
_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  0.727  0.727  0.398  1.0
  V  V1  1  0.273  0.273  0.602  1.0
  V  V2  1  0.749  0.251  1.000  1.0
  V  V3  1  0.251  0.749  1.000  1.0
  Cr  Cr4  1  0.202  0.202  0.143  1.0
  Cr  Cr5  1  0.798  0.798  0.857  1.0
  Cr  Cr6  1  0.820  0.180  0.500  1.0
  Cr  Cr7  1  0.180  0.820  0.500  1.0
  O  O8  1  0.204  0.526  0.527  1.0
  O  O9  1  0.474  0.796  0.473  1.0
  O  O10  1  0.796  0.474  0.473  1.0
  O  O11  1  0.526  0.204  0.527  1.0
  O  O12  1  0.107  0.802  0.798  1.0
  O  O13  1  0.198  0.893  0.202  1.0
  O  O14  1  0.893  0.198  0.202  1.0
  O  O15  1  0.802  0.107  0.798  1.0
  O  O16  1  0.861  0.861  0.541  1.0
  O  O17  1  0.139  0.139  0.459  1.0
  O  O18  1  0.206  0.206  0.862  1.0
  O  O19  1  0.794  0.794  0.138  1.0
  O  O20  1  0.793  0.500  0.889  1.0
  O  O21  1  0.207  0.500  0.111  1.0
  O  O22  1  0.500  0.207  0.111  1.0
  O  O23  1  0.500  0.793  0.889  1.0
[/CIF]
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