The material structure described by V5FeO12 crystallizes in the triclinic P1 space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-58°. In the third V site, V(3) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-63°. In the fourth V site, V(4) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent V(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-58°. In the fifth V site, V(5) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-65°. Fe(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form distorted FeO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(4) and one Fe(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one V(1), one V(4), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(5), and one Fe(1) atom. is represented by the CIF card [CIF]
data_V5FeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.790
_cell_length_b   6.912
_cell_length_c   5.879
_cell_angle_alpha   75.587
_cell_angle_beta   104.931
_cell_angle_gamma   95.714
_symmetry_Int_Tables_number   1
_cell_volume   258.012
_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  0.916  0.916  0.246  1.0
  V  V1  1  0.208  0.615  0.752  1.0
  V  V2  1  0.390  0.792  0.260  1.0
  V  V3  1  0.613  0.206  0.752  1.0
  V  V4  1  0.800  0.394  0.248  1.0
  Fe  Fe5  1  0.084  0.089  0.738  1.0
  O  O6  1  0.038  0.804  0.625  1.0
  O  O7  1  0.090  0.391  0.757  1.0
  O  O8  1  0.196  0.960  0.163  1.0
  O  O9  1  0.379  0.649  0.554  1.0
  O  O10  1  0.382  0.081  0.741  1.0
  O  O11  1  0.341  0.631  0.055  1.0
  O  O12  1  0.639  0.370  0.944  1.0
  O  O13  1  0.625  0.903  0.277  1.0
  O  O14  1  0.628  0.339  0.459  1.0
  O  O15  1  0.818  0.043  0.872  1.0
  O  O16  1  0.898  0.640  0.209  1.0
  O  O17  1  0.954  0.176  0.348  1.0
[/CIF]
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The material structure described by V5FeO12 crystallizes in the triclinic P1 space group. There are five inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(3), and one O(8) atom to form VO6 octahedra that share  a cornercorner with one V(2)O4 tetrahedra,  a cornercorner with one V(4)O4 tetrahedra, corners with two equivalent V(3)O4 tetrahedra, corners with two equivalent V(5)O4 tetrahedra, and edges with two equivalent Fe(1)O6 octahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form VO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent V(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-58°. In the third V site, V(3) is bonded to one O(3), one O(4), one O(6), and one O(8) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent V(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-63°. In the fourth V site, V(4) is bonded to one O(10), one O(5), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, and corners with two equivalent V(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-58°. In the fifth V site, V(5) is bonded to one O(11), one O(12), one O(7), and one O(9) atom to form VO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent V(1)O6 octahedra, and corners with two equivalent V(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 26-65°. Fe(1) is bonded to one O(1), one O(10), one O(12), one O(2), one O(3), and one O(5) atom to form distorted FeO6 octahedra that share  a cornercorner with one V(3)O4 tetrahedra,  a cornercorner with one V(5)O4 tetrahedra, corners with two equivalent V(2)O4 tetrahedra, corners with two equivalent V(4)O4 tetrahedra, and edges with two equivalent V(1)O6 octahedra. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Fe(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one Fe(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(1), one V(3), and one Fe(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(4) and one Fe(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one V(1), one V(4), and one Fe(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one V(1), one V(5), and one Fe(1) atom. is represented by the CIF card [CIF]
data_V5FeO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.790
_cell_length_b   6.912
_cell_length_c   5.879
_cell_angle_alpha   75.587
_cell_angle_beta   104.931
_cell_angle_gamma   95.714
_symmetry_Int_Tables_number   1
_cell_volume   258.012
_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  0.916  0.916  0.246  1.0
  V  V1  1  0.208  0.615  0.752  1.0
  V  V2  1  0.390  0.792  0.260  1.0
  V  V3  1  0.613  0.206  0.752  1.0
  V  V4  1  0.800  0.394  0.248  1.0
  Fe  Fe5  1  0.084  0.089  0.738  1.0
  O  O6  1  0.038  0.804  0.625  1.0
  O  O7  1  0.090  0.391  0.757  1.0
  O  O8  1  0.196  0.960  0.163  1.0
  O  O9  1  0.379  0.649  0.554  1.0
  O  O10  1  0.382  0.081  0.741  1.0
  O  O11  1  0.341  0.631  0.055  1.0
  O  O12  1  0.639  0.370  0.944  1.0
  O  O13  1  0.625  0.903  0.277  1.0
  O  O14  1  0.628  0.339  0.459  1.0
  O  O15  1  0.818  0.043  0.872  1.0
  O  O16  1  0.898  0.640  0.209  1.0
  O  O17  1  0.954  0.176  0.348  1.0
[/CIF]
.