The material described by V3(FeO4)2 crystallizes in the hexagonal P6_3mc space group. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent V(1)O6 octahedra, corners with three equivalent Fe(1)O4 tetrahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(1), one Fe(1), and one Fe(2) atom to form distorted OV2Fe2 tetrahedra that share corners with two equivalent O(1)V2Fe2 tetrahedra,  a cornercorner with one O(4)V3Fe trigonal pyramid, edges with two equivalent O(1)V2Fe2 tetrahedra, and  an edgeedge with one O(4)V3Fe trigonal pyramid. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent V(1) and one Fe(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. In the fourth O site, O(4) is bonded to three equivalent V(1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OV3Fe trigonal pyramids. is represented by the CIF file [CIF]
data_V3(FeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.936
_cell_length_b   5.936
_cell_length_c   9.478
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   289.192
_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  0.840  0.680  0.642  1.0
  V  V1  1  0.840  0.160  0.642  1.0
  V  V2  1  0.160  0.320  0.142  1.0
  V  V3  1  0.320  0.160  0.642  1.0
  V  V4  1  0.160  0.840  0.142  1.0
  V  V5  1  0.680  0.840  0.142  1.0
  Fe  Fe6  1  0.667  0.333  0.956  1.0
  Fe  Fe7  1  0.333  0.667  0.456  1.0
  Fe  Fe8  1  0.667  0.333  0.354  1.0
  Fe  Fe9  1  0.333  0.667  0.854  1.0
  O  O10  1  0.513  0.027  0.511  1.0
  O  O11  1  0.513  0.487  0.511  1.0
  O  O12  1  0.487  0.973  0.011  1.0
  O  O13  1  0.973  0.487  0.511  1.0
  O  O14  1  0.487  0.513  0.011  1.0
  O  O15  1  0.027  0.513  0.011  1.0
  O  O16  1  0.166  0.332  0.752  1.0
  O  O17  1  0.166  0.834  0.752  1.0
  O  O18  1  0.834  0.668  0.252  1.0
  O  O19  1  0.668  0.834  0.752  1.0
  O  O20  1  0.834  0.166  0.252  1.0
  O  O21  1  0.332  0.166  0.252  1.0
  O  O22  1  0.000  0.000  0.029  1.0
  O  O23  1  0.000  0.000  0.529  1.0
  O  O24  1  0.667  0.333  0.753  1.0
  O  O25  1  0.333  0.667  0.253  1.0
[/CIF]
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The material described by V3(FeO4)2 crystallizes in the hexagonal P6_3mc space group. V(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form VO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Fe(1)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and edges with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(4) and three equivalent O(1) atoms to form FeO4 tetrahedra that share corners with three equivalent Fe(2)O6 octahedra and corners with nine equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. In the second Fe site, Fe(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form FeO6 octahedra that share corners with six equivalent V(1)O6 octahedra, corners with three equivalent Fe(1)O4 tetrahedra, and edges with three equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent V(1), one Fe(1), and one Fe(2) atom to form distorted OV2Fe2 tetrahedra that share corners with two equivalent O(1)V2Fe2 tetrahedra,  a cornercorner with one O(4)V3Fe trigonal pyramid, edges with two equivalent O(1)V2Fe2 tetrahedra, and  an edgeedge with one O(4)V3Fe trigonal pyramid. In the second O site, O(2) is bonded in a distorted T-shaped geometry to two equivalent V(1) and one Fe(2) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to three equivalent V(1) atoms. In the fourth O site, O(4) is bonded to three equivalent V(1) and one Fe(1) atom to form a mixture of distorted corner and edge-sharing OV3Fe trigonal pyramids. is represented by the CIF file [CIF]
data_V3(FeO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.936
_cell_length_b   5.936
_cell_length_c   9.478
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   289.192
_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  0.840  0.680  0.642  1.0
  V  V1  1  0.840  0.160  0.642  1.0
  V  V2  1  0.160  0.320  0.142  1.0
  V  V3  1  0.320  0.160  0.642  1.0
  V  V4  1  0.160  0.840  0.142  1.0
  V  V5  1  0.680  0.840  0.142  1.0
  Fe  Fe6  1  0.667  0.333  0.956  1.0
  Fe  Fe7  1  0.333  0.667  0.456  1.0
  Fe  Fe8  1  0.667  0.333  0.354  1.0
  Fe  Fe9  1  0.333  0.667  0.854  1.0
  O  O10  1  0.513  0.027  0.511  1.0
  O  O11  1  0.513  0.487  0.511  1.0
  O  O12  1  0.487  0.973  0.011  1.0
  O  O13  1  0.973  0.487  0.511  1.0
  O  O14  1  0.487  0.513  0.011  1.0
  O  O15  1  0.027  0.513  0.011  1.0
  O  O16  1  0.166  0.332  0.752  1.0
  O  O17  1  0.166  0.834  0.752  1.0
  O  O18  1  0.834  0.668  0.252  1.0
  O  O19  1  0.668  0.834  0.752  1.0
  O  O20  1  0.834  0.166  0.252  1.0
  O  O21  1  0.332  0.166  0.252  1.0
  O  O22  1  0.000  0.000  0.029  1.0
  O  O23  1  0.000  0.000  0.529  1.0
  O  O24  1  0.667  0.333  0.753  1.0
  O  O25  1  0.333  0.667  0.253  1.0
[/CIF]
.