The compound described by FeVO4 crystallizes in the orthorhombic Imma space group. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Fe(1)O6 octahedra. 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 distorted bent 120 degrees geometry to one V(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.805
_cell_length_b   5.805
_cell_length_c   5.805
_cell_angle_alpha   85.280
_cell_angle_beta   64.433
_cell_angle_gamma   119.088
_symmetry_Int_Tables_number   1
_cell_volume   143.250
_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  0.750  0.388  0.862  1.0
  V  V1  1  0.250  0.612  0.138  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  0.019  0.772  0.747  1.0
  O  O5  1  0.532  0.258  0.210  1.0
  O  O6  1  0.968  0.258  0.774  1.0
  O  O7  1  0.519  0.766  0.253  1.0
  O  O8  1  0.481  0.234  0.747  1.0
  O  O9  1  0.032  0.742  0.226  1.0
  O  O10  1  0.468  0.742  0.790  1.0
  O  O11  1  0.981  0.228  0.253  1.0
[/CIF]
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The compound described by FeVO4 crystallizes in the orthorhombic Imma space group. V(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form VO4 tetrahedra that share corners with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-55°. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent V(1)O4 tetrahedra and edges with two equivalent Fe(1)O6 octahedra. 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 distorted bent 120 degrees geometry to one V(1) and one Fe(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VFeO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.805
_cell_length_b   5.805
_cell_length_c   5.805
_cell_angle_alpha   85.280
_cell_angle_beta   64.433
_cell_angle_gamma   119.088
_symmetry_Int_Tables_number   1
_cell_volume   143.250
_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  0.750  0.388  0.862  1.0
  V  V1  1  0.250  0.612  0.138  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  0.019  0.772  0.747  1.0
  O  O5  1  0.532  0.258  0.210  1.0
  O  O6  1  0.968  0.258  0.774  1.0
  O  O7  1  0.519  0.766  0.253  1.0
  O  O8  1  0.481  0.234  0.747  1.0
  O  O9  1  0.032  0.742  0.226  1.0
  O  O10  1  0.468  0.742  0.790  1.0
  O  O11  1  0.981  0.228  0.253  1.0
[/CIF]
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