The compound described by FeV2O4 is Spinel structured and crystallizes in the monoclinic Cm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the third V site, V(3) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the second Fe site, Fe(2) is bonded to one O(5), one O(6), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Fe(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), two equivalent V(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(3), two equivalent V(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(3), two equivalent V(2), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(1), two equivalent V(2), and one Fe(2) atom. is represented by the CIF card [CIF]
data_V2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.063
_cell_length_b   6.073
_cell_length_c   6.039
_cell_angle_alpha   120.333
_cell_angle_beta   90.476
_cell_angle_gamma   119.255
_symmetry_Int_Tables_number   1
_cell_volume   157.552
_cell_formula_units_Z   2
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  0.998  0.496  0.993  1.0
  V  V1  1  1.000  0.501  0.500  1.0
  V  V2  1  0.002  0.997  0.499  1.0
  V  V3  1  0.499  0.000  0.500  1.0
  Fe  Fe4  1  0.379  0.252  0.132  1.0
  Fe  Fe5  1  0.621  0.751  0.871  1.0
  O  O6  1  0.234  0.494  0.740  1.0
  O  O7  1  0.249  0.512  0.261  1.0
  O  O8  1  0.250  0.979  0.730  1.0
  O  O9  1  0.254  0.994  0.260  1.0
  O  O10  1  0.751  0.023  0.274  1.0
  O  O11  1  0.746  0.006  0.740  1.0
  O  O12  1  0.766  0.506  0.260  1.0
  O  O13  1  0.751  0.490  0.741  1.0
[/CIF]
.
The compound described by FeV2O4 is Spinel structured and crystallizes in the monoclinic Cm space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent V(3)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form VO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. In the third V site, V(3) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form VO6 octahedra that share corners with three equivalent Fe(1)O4 tetrahedra, corners with three equivalent Fe(2)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with four equivalent V(2)O6 octahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form FeO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the second Fe site, Fe(2) is bonded to one O(5), one O(6), and two equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with six equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-60°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Fe(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one V(1), two equivalent V(2), and one Fe(1) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(3), two equivalent V(2), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one V(1), one V(2), one V(3), and one Fe(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one V(3), two equivalent V(2), and one Fe(2) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one V(1), two equivalent V(2), and one Fe(2) atom. is represented by the CIF card [CIF]
data_V2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.063
_cell_length_b   6.073
_cell_length_c   6.039
_cell_angle_alpha   120.333
_cell_angle_beta   90.476
_cell_angle_gamma   119.255
_symmetry_Int_Tables_number   1
_cell_volume   157.552
_cell_formula_units_Z   2
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  0.998  0.496  0.993  1.0
  V  V1  1  1.000  0.501  0.500  1.0
  V  V2  1  0.002  0.997  0.499  1.0
  V  V3  1  0.499  0.000  0.500  1.0
  Fe  Fe4  1  0.379  0.252  0.132  1.0
  Fe  Fe5  1  0.621  0.751  0.871  1.0
  O  O6  1  0.234  0.494  0.740  1.0
  O  O7  1  0.249  0.512  0.261  1.0
  O  O8  1  0.250  0.979  0.730  1.0
  O  O9  1  0.254  0.994  0.260  1.0
  O  O10  1  0.751  0.023  0.274  1.0
  O  O11  1  0.746  0.006  0.740  1.0
  O  O12  1  0.766  0.506  0.260  1.0
  O  O13  1  0.751  0.490  0.741  1.0
[/CIF]
.