The crystal structure described by FeVO4 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Imma space group. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted VO6 octahedra that share corners with eight equivalent Fe(1)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with eight equivalent V(1)O6 octahedra and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent V(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_VFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.537
_cell_length_b   5.537
_cell_length_c   5.537
_cell_angle_alpha   111.228
_cell_angle_beta   113.697
_cell_angle_gamma   103.651
_symmetry_Int_Tables_number   1
_cell_volume   129.627
_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  0.709  0.459  0.250  1.0
  V  V1  1  0.291  0.541  0.750  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.768  0.227  0.959  1.0
  O  O5  1  0.782  0.305  0.477  1.0
  O  O6  1  0.329  0.305  0.023  1.0
  O  O7  1  0.232  0.190  0.459  1.0
  O  O8  1  0.768  0.810  0.541  1.0
  O  O9  1  0.671  0.695  0.977  1.0
  O  O10  1  0.218  0.695  0.523  1.0
  O  O11  1  0.232  0.773  0.041  1.0
[/CIF]
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The crystal structure described by FeVO4 is zeta iron carbide-derived structured and crystallizes in the orthorhombic Imma space group. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted VO6 octahedra that share corners with eight equivalent Fe(1)O6 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with eight equivalent V(1)O6 octahedra and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1) and two equivalent Fe(1) atoms. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent V(1) and one Fe(1) atom. is represented by the CIF card [CIF]
data_VFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.537
_cell_length_b   5.537
_cell_length_c   5.537
_cell_angle_alpha   111.228
_cell_angle_beta   113.697
_cell_angle_gamma   103.651
_symmetry_Int_Tables_number   1
_cell_volume   129.627
_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  0.709  0.459  0.250  1.0
  V  V1  1  0.291  0.541  0.750  1.0
  Fe  Fe2  1  0.000  0.000  0.000  1.0
  Fe  Fe3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.768  0.227  0.959  1.0
  O  O5  1  0.782  0.305  0.477  1.0
  O  O6  1  0.329  0.305  0.023  1.0
  O  O7  1  0.232  0.190  0.459  1.0
  O  O8  1  0.768  0.810  0.541  1.0
  O  O9  1  0.671  0.695  0.977  1.0
  O  O10  1  0.218  0.695  0.523  1.0
  O  O11  1  0.232  0.773  0.041  1.0
[/CIF]
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