The material structure described by V4FeO12 crystallizes in the monoclinic C2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-51°. Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with four equivalent V(2)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(2) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(1) atom. is represented by the CIF card [CIF]
data_V4FeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.772
_cell_length_b   6.772
_cell_length_c   6.057
_cell_angle_alpha   74.914
_cell_angle_beta   74.914
_cell_angle_gamma   82.772
_symmetry_Int_Tables_number   1
_cell_volume   258.412
_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  0.796  0.621  1.000  1.0
  V  V1  1  0.612  0.789  0.520  1.0
  V  V2  1  0.379  0.204  0.000  1.0
  V  V3  1  0.211  0.388  0.480  1.0
  Fe  Fe4  1  0.082  0.918  0.500  1.0
  O  O5  1  0.974  0.801  0.845  1.0
  O  O6  1  0.930  0.399  0.032  1.0
  O  O7  1  0.793  0.960  0.451  1.0
  O  O8  1  0.635  0.625  0.800  1.0
  O  O9  1  0.601  0.070  0.968  1.0
  O  O10  1  0.661  0.652  0.292  1.0
  O  O11  1  0.375  0.365  0.200  1.0
  O  O12  1  0.369  0.903  0.546  1.0
  O  O13  1  0.348  0.339  0.708  1.0
  O  O14  1  0.199  0.026  0.155  1.0
  O  O15  1  0.097  0.631  0.454  1.0
  O  O16  1  0.040  0.207  0.549  1.0
[/CIF]
.
The material structure described by V4FeO12 crystallizes in the monoclinic C2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 47°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), and one O(6) atom to form VO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent V(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 30-51°. Fe(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent V(1)O4 tetrahedra and corners with four equivalent V(2)O4 tetrahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one V(1) and one Fe(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(1) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one V(2) and one Fe(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(1) atom. is represented by the CIF card [CIF]
data_V4FeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.772
_cell_length_b   6.772
_cell_length_c   6.057
_cell_angle_alpha   74.914
_cell_angle_beta   74.914
_cell_angle_gamma   82.772
_symmetry_Int_Tables_number   1
_cell_volume   258.412
_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  0.796  0.621  1.000  1.0
  V  V1  1  0.612  0.789  0.520  1.0
  V  V2  1  0.379  0.204  0.000  1.0
  V  V3  1  0.211  0.388  0.480  1.0
  Fe  Fe4  1  0.082  0.918  0.500  1.0
  O  O5  1  0.974  0.801  0.845  1.0
  O  O6  1  0.930  0.399  0.032  1.0
  O  O7  1  0.793  0.960  0.451  1.0
  O  O8  1  0.635  0.625  0.800  1.0
  O  O9  1  0.601  0.070  0.968  1.0
  O  O10  1  0.661  0.652  0.292  1.0
  O  O11  1  0.375  0.365  0.200  1.0
  O  O12  1  0.369  0.903  0.546  1.0
  O  O13  1  0.348  0.339  0.708  1.0
  O  O14  1  0.199  0.026  0.155  1.0
  O  O15  1  0.097  0.631  0.454  1.0
  O  O16  1  0.040  0.207  0.549  1.0
[/CIF]
.