The material described by FeV2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)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. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), one V(3), one V(4), and one Fe(1) atom. In the second O site, O(2) 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 third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(4), 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(4), and one Fe(1) atom. is represented by the CIF card [CIF]
data_V2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.064
_cell_length_b   6.094
_cell_length_c   6.026
_cell_angle_alpha   119.647
_cell_angle_beta   89.936
_cell_angle_gamma   120.579
_symmetry_Int_Tables_number   1
_cell_volume   157.020
_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  0.500  0.000  0.500  1.0
  V  V1  1  0.000  0.500  0.000  1.0
  V  V2  1  0.000  0.500  0.500  1.0
  V  V3  1  0.000  0.000  0.500  1.0
  Fe  Fe4  1  0.370  0.250  0.125  1.0
  Fe  Fe5  1  0.630  0.750  0.875  1.0
  O  O6  1  0.230  0.477  0.739  1.0
  O  O7  1  0.240  0.505  0.252  1.0
  O  O8  1  0.238  0.991  0.734  1.0
  O  O9  1  0.236  0.990  0.255  1.0
  O  O10  1  0.762  0.009  0.266  1.0
  O  O11  1  0.764  0.010  0.745  1.0
  O  O12  1  0.770  0.523  0.261  1.0
  O  O13  1  0.760  0.495  0.748  1.0
[/CIF]
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The material described by FeV2O4 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the second V site, V(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(3)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and edges with two equivalent V(4)O6 octahedra. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form VO6 octahedra that share corners with six equivalent Fe(1)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. Fe(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form FeO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra, corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(3)O6 octahedra, and corners with three equivalent V(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-58°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one V(2), one V(3), one V(4), and one Fe(1) atom. In the second O site, O(2) 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 third O site, O(3) is bonded in a rectangular see-saw-like geometry to one V(1), one V(3), one V(4), 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(4), and one Fe(1) atom. is represented by the CIF card [CIF]
data_V2FeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.064
_cell_length_b   6.094
_cell_length_c   6.026
_cell_angle_alpha   119.647
_cell_angle_beta   89.936
_cell_angle_gamma   120.579
_symmetry_Int_Tables_number   1
_cell_volume   157.020
_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  0.500  0.000  0.500  1.0
  V  V1  1  0.000  0.500  0.000  1.0
  V  V2  1  0.000  0.500  0.500  1.0
  V  V3  1  0.000  0.000  0.500  1.0
  Fe  Fe4  1  0.370  0.250  0.125  1.0
  Fe  Fe5  1  0.630  0.750  0.875  1.0
  O  O6  1  0.230  0.477  0.739  1.0
  O  O7  1  0.240  0.505  0.252  1.0
  O  O8  1  0.238  0.991  0.734  1.0
  O  O9  1  0.236  0.990  0.255  1.0
  O  O10  1  0.762  0.009  0.266  1.0
  O  O11  1  0.764  0.010  0.745  1.0
  O  O12  1  0.770  0.523  0.261  1.0
  O  O13  1  0.760  0.495  0.748  1.0
[/CIF]
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