The material described by FeV3O8 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(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-31°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-27°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms. Fe(1) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form distorted FeO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-33°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent V(3) atoms. In the second O site, O(2) is bonded to one V(1), one V(2), and two equivalent Fe(1) atoms to form distorted OV2Fe2 tetrahedra that share corners with two equivalent O(2)V2Fe2 tetrahedra and edges with two equivalent O(7)V3Fe tetrahedra. In the third O site, O(3) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(3) and one Fe(1) atom. In the seventh O site, O(7) is bonded to one V(3), two equivalent V(1), and one Fe(1) atom to form distorted OV3Fe tetrahedra that share corners with two equivalent O(7)V3Fe tetrahedra and edges with two equivalent O(2)V2Fe2 tetrahedra. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to two equivalent V(2) and one Fe(1) atom. is represented by the CIF file [CIF]
data_V3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.390
_cell_length_b   6.390
_cell_length_c   6.527
_cell_angle_alpha   73.948
_cell_angle_beta   106.052
_cell_angle_gamma   145.344
_symmetry_Int_Tables_number   1
_cell_volume   145.032
_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  0.298  0.702  0.713  1.0
  V  V1  1  0.403  0.597  0.296  1.0
  V  V2  1  0.600  0.400  0.718  1.0
  Fe  Fe3  1  0.706  0.294  0.302  1.0
  O  O4  1  0.132  0.868  0.693  1.0
  O  O5  1  0.247  0.753  0.367  1.0
  O  O6  1  0.359  0.641  0.985  1.0
  O  O7  1  0.448  0.552  0.637  1.0
  O  O8  1  0.553  0.447  0.361  1.0
  O  O9  1  0.633  0.367  0.987  1.0
  O  O10  1  0.756  0.244  0.656  1.0
  O  O11  1  0.865  0.135  0.287  1.0
[/CIF]
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The material described by FeV3O8 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(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-31°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 9-27°. In the third V site, V(3) is bonded in a 6-coordinate geometry to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms. Fe(1) is bonded to one O(5), one O(6), one O(7), one O(8), and two equivalent O(2) atoms to form distorted FeO6 octahedra that share  a cornercorner with one V(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-33°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(1) and two equivalent V(3) atoms. In the second O site, O(2) is bonded to one V(1), one V(2), and two equivalent Fe(1) atoms to form distorted OV2Fe2 tetrahedra that share corners with two equivalent O(2)V2Fe2 tetrahedra and edges with two equivalent O(7)V3Fe tetrahedra. In the third O site, O(3) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(2), one V(3), and one Fe(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(3) and one Fe(1) atom. In the seventh O site, O(7) is bonded to one V(3), two equivalent V(1), and one Fe(1) atom to form distorted OV3Fe tetrahedra that share corners with two equivalent O(7)V3Fe tetrahedra and edges with two equivalent O(2)V2Fe2 tetrahedra. In the eighth O site, O(8) is bonded in a distorted T-shaped geometry to two equivalent V(2) and one Fe(1) atom. is represented by the CIF file [CIF]
data_V3FeO8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.390
_cell_length_b   6.390
_cell_length_c   6.527
_cell_angle_alpha   73.948
_cell_angle_beta   106.052
_cell_angle_gamma   145.344
_symmetry_Int_Tables_number   1
_cell_volume   145.032
_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  0.298  0.702  0.713  1.0
  V  V1  1  0.403  0.597  0.296  1.0
  V  V2  1  0.600  0.400  0.718  1.0
  Fe  Fe3  1  0.706  0.294  0.302  1.0
  O  O4  1  0.132  0.868  0.693  1.0
  O  O5  1  0.247  0.753  0.367  1.0
  O  O6  1  0.359  0.641  0.985  1.0
  O  O7  1  0.448  0.552  0.637  1.0
  O  O8  1  0.553  0.447  0.361  1.0
  O  O9  1  0.633  0.367  0.987  1.0
  O  O10  1  0.756  0.244  0.656  1.0
  O  O11  1  0.865  0.135  0.287  1.0
[/CIF]
.