The crystal structure described by FVO2 crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), one O(6), one F(2), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 10-42°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(4), one O(6), one F(1), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 10-42°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 25-33°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent F(2) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 21-39°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a linear 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(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.054
_cell_length_b   5.062
_cell_length_c   12.997
_cell_angle_alpha   87.854
_cell_angle_beta   88.133
_cell_angle_gamma   62.103
_symmetry_Int_Tables_number   1
_cell_volume   293.558
_cell_formula_units_Z   6
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  0.739  0.626  0.164  1.0
  V  V1  1  0.622  0.703  0.665  1.0
  V  V2  1  0.000  0.000  0.500  1.0
  V  V3  1  0.378  0.297  0.335  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  V  V5  1  0.261  0.374  0.836  1.0
  O  O6  1  0.661  0.075  0.418  1.0
  O  O7  1  0.339  0.925  0.582  1.0
  O  O8  1  0.070  0.674  0.916  1.0
  O  O9  1  0.918  0.756  0.581  1.0
  O  O10  1  0.569  0.417  0.251  1.0
  O  O11  1  0.254  0.079  0.919  1.0
  O  O12  1  0.082  0.244  0.419  1.0
  O  O13  1  0.746  0.921  0.081  1.0
  O  O14  1  0.431  0.583  0.749  1.0
  O  O15  1  0.930  0.326  0.084  1.0
  O  O16  1  0.004  0.416  0.750  1.0
  O  O17  1  0.996  0.584  0.250  1.0
  F  F18  1  0.262  0.667  0.416  1.0
  F  F19  1  0.323  0.740  0.084  1.0
  F  F20  1  0.599  0.006  0.750  1.0
  F  F21  1  0.401  0.994  0.250  1.0
  F  F22  1  0.677  0.260  0.916  1.0
  F  F23  1  0.738  0.333  0.584  1.0
[/CIF]
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The crystal structure described by FVO2 crystallizes in the triclinic P-1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(4), one O(5), one O(6), one F(2), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 10-42°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(4), one O(6), one F(1), and one F(3) atom to form distorted corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 10-42°. In the third V site, V(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent F(1) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 25-33°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent F(2) atoms to form corner-sharing VO4F2 octahedra. The corner-sharing octahedral tilt angles range from 21-39°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a linear 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(4) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VO2F
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.054
_cell_length_b   5.062
_cell_length_c   12.997
_cell_angle_alpha   87.854
_cell_angle_beta   88.133
_cell_angle_gamma   62.103
_symmetry_Int_Tables_number   1
_cell_volume   293.558
_cell_formula_units_Z   6
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  0.739  0.626  0.164  1.0
  V  V1  1  0.622  0.703  0.665  1.0
  V  V2  1  0.000  0.000  0.500  1.0
  V  V3  1  0.378  0.297  0.335  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  V  V5  1  0.261  0.374  0.836  1.0
  O  O6  1  0.661  0.075  0.418  1.0
  O  O7  1  0.339  0.925  0.582  1.0
  O  O8  1  0.070  0.674  0.916  1.0
  O  O9  1  0.918  0.756  0.581  1.0
  O  O10  1  0.569  0.417  0.251  1.0
  O  O11  1  0.254  0.079  0.919  1.0
  O  O12  1  0.082  0.244  0.419  1.0
  O  O13  1  0.746  0.921  0.081  1.0
  O  O14  1  0.431  0.583  0.749  1.0
  O  O15  1  0.930  0.326  0.084  1.0
  O  O16  1  0.004  0.416  0.750  1.0
  O  O17  1  0.996  0.584  0.250  1.0
  F  F18  1  0.262  0.667  0.416  1.0
  F  F19  1  0.323  0.740  0.084  1.0
  F  F20  1  0.599  0.006  0.750  1.0
  F  F21  1  0.401  0.994  0.250  1.0
  F  F22  1  0.677  0.260  0.916  1.0
  F  F23  1  0.738  0.333  0.584  1.0
[/CIF]
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