The material structure described by V2O3F is Rutile-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second V site, V(2) is bonded to four equivalent O(2) and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with eight equivalent V(3)O4F2 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with four equivalent V(2)O4F2 octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. 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 V(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. F(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.565
_cell_length_b   5.565
_cell_length_c   4.686
_cell_angle_alpha   88.455
_cell_angle_beta   88.455
_cell_angle_gamma   65.240
_symmetry_Int_Tables_number   1
_cell_volume   131.739
_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  0.000  0.000  0.500  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.155  0.155  0.805  1.0
  O  O5  1  0.152  0.657  0.693  1.0
  O  O6  1  0.657  0.152  0.693  1.0
  O  O7  1  0.848  0.343  0.307  1.0
  O  O8  1  0.343  0.848  0.307  1.0
  O  O9  1  0.845  0.845  0.195  1.0
  F  F10  1  0.649  0.649  0.796  1.0
  F  F11  1  0.351  0.351  0.204  1.0
[/CIF]
.
The material structure described by V2O3F is Rutile-derived structured and crystallizes in the monoclinic C2/m space group. There are three inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing VO6 octahedra. The corner-sharing octahedral tilt angles are 49°. In the second V site, V(2) is bonded to four equivalent O(2) and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with eight equivalent V(3)O4F2 octahedra and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent F(1) atoms to form VO4F2 octahedra that share corners with four equivalent V(2)O4F2 octahedra, corners with four equivalent V(1)O6 octahedra, and edges with two equivalent V(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. 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 V(3) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one V(1), one V(2), and one V(3) atom. F(1) is bonded in a distorted trigonal planar geometry to one V(2) and two equivalent V(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2O3F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.565
_cell_length_b   5.565
_cell_length_c   4.686
_cell_angle_alpha   88.455
_cell_angle_beta   88.455
_cell_angle_gamma   65.240
_symmetry_Int_Tables_number   1
_cell_volume   131.739
_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  0.000  0.000  0.500  1.0
  V  V1  1  0.500  0.500  0.500  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.000  0.500  0.000  1.0
  O  O4  1  0.155  0.155  0.805  1.0
  O  O5  1  0.152  0.657  0.693  1.0
  O  O6  1  0.657  0.152  0.693  1.0
  O  O7  1  0.848  0.343  0.307  1.0
  O  O8  1  0.343  0.848  0.307  1.0
  O  O9  1  0.845  0.845  0.195  1.0
  F  F10  1  0.649  0.649  0.796  1.0
  F  F11  1  0.351  0.351  0.204  1.0
[/CIF]
.