The material structure described by V3CrO8 crystallizes in the triclinic P1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent V(3)O6 octahedra and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with three equivalent V(3)O6 octahedra and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the third V site, V(3) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and edges with two equivalent Cr(1)O6 octahedra. Cr(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and edges with two equivalent V(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(2) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(2), one V(3), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one V(1), one V(3), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.838
_cell_length_b   5.809
_cell_length_c   6.204
_cell_angle_alpha   58.833
_cell_angle_beta   57.578
_cell_angle_gamma   59.998
_symmetry_Int_Tables_number   1
_cell_volume   144.576
_cell_formula_units_Z   1
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  0.921  0.837  0.911  1.0
  V  V1  1  0.162  0.080  0.166  1.0
  V  V2  1  0.540  0.457  0.538  1.0
  Cr  Cr3  1  0.543  0.460  0.035  1.0
  O  O4  1  0.788  0.713  0.256  1.0
  O  O5  1  0.288  0.211  0.257  1.0
  O  O6  1  0.800  0.707  0.815  1.0
  O  O7  1  0.294  0.200  0.821  1.0
  O  O8  1  0.306  0.699  0.281  1.0
  O  O9  1  0.770  0.234  0.282  1.0
  O  O10  1  0.777  0.218  0.793  1.0
  O  O11  1  0.312  0.684  0.792  1.0
[/CIF]
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The material structure described by V3CrO8 crystallizes in the triclinic P1 space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(7), and one O(8) atom to form VO4 tetrahedra that share corners with three equivalent V(3)O6 octahedra and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the second V site, V(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with three equivalent V(3)O6 octahedra and corners with three equivalent Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-57°. In the third V site, V(3) is bonded to one O(1), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and edges with two equivalent Cr(1)O6 octahedra. Cr(1) is bonded to one O(2), one O(3), one O(5), one O(6), one O(7), and one O(8) atom to form CrO6 octahedra that share corners with three equivalent V(1)O4 tetrahedra, corners with three equivalent V(2)O4 tetrahedra, and edges with two equivalent V(3)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one V(2) and one Cr(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Cr(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one V(2), one V(3), and one Cr(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one V(2), one V(3), and one Cr(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one V(1), one V(3), and one Cr(1) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one V(1), one V(3), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V3CrO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.838
_cell_length_b   5.809
_cell_length_c   6.204
_cell_angle_alpha   58.833
_cell_angle_beta   57.578
_cell_angle_gamma   59.998
_symmetry_Int_Tables_number   1
_cell_volume   144.576
_cell_formula_units_Z   1
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  0.921  0.837  0.911  1.0
  V  V1  1  0.162  0.080  0.166  1.0
  V  V2  1  0.540  0.457  0.538  1.0
  Cr  Cr3  1  0.543  0.460  0.035  1.0
  O  O4  1  0.788  0.713  0.256  1.0
  O  O5  1  0.288  0.211  0.257  1.0
  O  O6  1  0.800  0.707  0.815  1.0
  O  O7  1  0.294  0.200  0.821  1.0
  O  O8  1  0.306  0.699  0.281  1.0
  O  O9  1  0.770  0.234  0.282  1.0
  O  O10  1  0.777  0.218  0.793  1.0
  O  O11  1  0.312  0.684  0.792  1.0
[/CIF]
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