The crystal structure described by VOF2 crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), one F(12), one F(3), one F(5), and one F(9) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 20-34°. In the second V site, V(2) is bonded to one O(1), one O(6), one F(10), one F(11), one F(4), and one F(7) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 22-42°. In the third V site, V(3) is bonded to one O(1), one O(4), one F(1), one F(11), one F(2), and one F(7) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 18-42°. In the fourth V site, V(4) is bonded to one O(3), one O(4), one F(1), one F(12), one F(2), and one F(5) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 18-38°. In the fifth V site, V(5) is bonded to one O(2), one O(5), one F(3), one F(6), one F(8), and one F(9) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-39°. In the sixth V site, V(6) is bonded to one O(2), one O(6), one F(10), one F(4), one F(6), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-39°. 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(5) and one V(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the second F site, F(2) is bonded in a linear geometry to one V(3) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. is represented by the CIF card [CIF]
data_VOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.079
_cell_length_b   5.093
_cell_length_c   13.090
_cell_angle_alpha   89.908
_cell_angle_beta   90.560
_cell_angle_gamma   119.513
_symmetry_Int_Tables_number   1
_cell_volume   294.653
_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  0.967  0.982  0.504  1.0
  V  V1  1  0.984  0.012  0.996  1.0
  V  V2  1  0.347  0.728  0.168  1.0
  V  V3  1  0.656  0.357  0.339  1.0
  V  V4  1  0.371  0.667  0.670  1.0
  V  V5  1  0.674  0.335  0.833  1.0
  O  O6  1  0.255  0.917  0.085  1.0
  O  O7  1  0.578  0.585  0.751  1.0
  O  O8  1  0.744  0.654  0.415  1.0
  O  O9  1  0.569  0.991  0.250  1.0
  O  O10  1  0.679  0.914  0.582  1.0
  O  O11  1  0.766  0.081  0.916  1.0
  F  F12  1  0.389  0.406  0.247  1.0
  F  F13  1  0.986  0.586  0.244  1.0
  F  F14  1  0.088  0.737  0.583  1.0
  F  F15  1  0.353  0.273  0.922  1.0
  F  F16  1  0.323  0.062  0.417  1.0
  F  F17  1  0.991  0.396  0.743  1.0
  F  F18  1  0.072  0.331  0.088  1.0
  F  F19  1  0.394  0.999  0.750  1.0
  F  F20  1  0.275  0.333  0.579  1.0
  F  F21  1  0.946  0.666  0.917  1.0
  F  F22  1  0.658  0.731  0.086  1.0
  F  F23  1  0.934  0.257  0.413  1.0
[/CIF]
.
The crystal structure described by VOF2 crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one O(3), one O(5), one F(12), one F(3), one F(5), and one F(9) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 20-34°. In the second V site, V(2) is bonded to one O(1), one O(6), one F(10), one F(11), one F(4), and one F(7) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 22-42°. In the third V site, V(3) is bonded to one O(1), one O(4), one F(1), one F(11), one F(2), and one F(7) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 18-42°. In the fourth V site, V(4) is bonded to one O(3), one O(4), one F(1), one F(12), one F(2), and one F(5) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 18-38°. In the fifth V site, V(5) is bonded to one O(2), one O(5), one F(3), one F(6), one F(8), and one F(9) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-39°. In the sixth V site, V(6) is bonded to one O(2), one O(6), one F(10), one F(4), one F(6), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-39°. 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(5) and one V(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. There are twelve inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the second F site, F(2) is bonded in a linear geometry to one V(3) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. is represented by the CIF card [CIF]
data_VOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.079
_cell_length_b   5.093
_cell_length_c   13.090
_cell_angle_alpha   89.908
_cell_angle_beta   90.560
_cell_angle_gamma   119.513
_symmetry_Int_Tables_number   1
_cell_volume   294.653
_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  0.967  0.982  0.504  1.0
  V  V1  1  0.984  0.012  0.996  1.0
  V  V2  1  0.347  0.728  0.168  1.0
  V  V3  1  0.656  0.357  0.339  1.0
  V  V4  1  0.371  0.667  0.670  1.0
  V  V5  1  0.674  0.335  0.833  1.0
  O  O6  1  0.255  0.917  0.085  1.0
  O  O7  1  0.578  0.585  0.751  1.0
  O  O8  1  0.744  0.654  0.415  1.0
  O  O9  1  0.569  0.991  0.250  1.0
  O  O10  1  0.679  0.914  0.582  1.0
  O  O11  1  0.766  0.081  0.916  1.0
  F  F12  1  0.389  0.406  0.247  1.0
  F  F13  1  0.986  0.586  0.244  1.0
  F  F14  1  0.088  0.737  0.583  1.0
  F  F15  1  0.353  0.273  0.922  1.0
  F  F16  1  0.323  0.062  0.417  1.0
  F  F17  1  0.991  0.396  0.743  1.0
  F  F18  1  0.072  0.331  0.088  1.0
  F  F19  1  0.394  0.999  0.750  1.0
  F  F20  1  0.275  0.333  0.579  1.0
  F  F21  1  0.946  0.666  0.917  1.0
  F  F22  1  0.658  0.731  0.086  1.0
  F  F23  1  0.934  0.257  0.413  1.0
[/CIF]
.