The material structure described by VOF2 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(3), one F(1), one F(2), one F(3), and one F(4) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 22-31°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(5), and one F(6) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. In the third V site, V(3) is bonded to two equivalent O(3), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 25-33°. There are three 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(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. is represented by the CIF file [CIF]
data_VOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.237
_cell_length_b   5.379
_cell_length_c   12.809
_cell_angle_alpha   90.806
_cell_angle_beta   91.291
_cell_angle_gamma   118.599
_symmetry_Int_Tables_number   1
_cell_volume   316.619
_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  0.169  0.389  0.336  1.0
  V  V1  1  0.173  0.310  0.838  1.0
  V  V2  1  0.500  0.000  0.500  1.0
  V  V3  1  0.500  0.000  0.000  1.0
  V  V4  1  0.827  0.690  0.162  1.0
  V  V5  1  0.831  0.611  0.664  1.0
  O  O6  1  0.304  0.197  0.937  1.0
  O  O7  1  0.696  0.803  0.063  1.0
  O  O8  1  0.021  0.469  0.721  1.0
  O  O9  1  0.979  0.531  0.279  1.0
  O  O10  1  0.406  0.661  0.415  1.0
  O  O11  1  0.594  0.339  0.585  1.0
  F  F12  1  0.569  0.536  0.777  1.0
  F  F13  1  0.431  0.464  0.223  1.0
  F  F14  1  0.090  0.993  0.743  1.0
  F  F15  1  0.910  0.007  0.257  1.0
  F  F16  1  0.911  0.201  0.446  1.0
  F  F17  1  0.636  0.853  0.615  1.0
  F  F18  1  0.768  0.121  0.882  1.0
  F  F19  1  0.768  0.344  0.082  1.0
  F  F20  1  0.232  0.656  0.918  1.0
  F  F21  1  0.232  0.879  0.118  1.0
  F  F22  1  0.364  0.147  0.385  1.0
  F  F23  1  0.089  0.799  0.554  1.0
[/CIF]
.
The material structure described by VOF2 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(3), one F(1), one F(2), one F(3), and one F(4) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 22-31°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(5), and one F(6) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. In the third V site, V(3) is bonded to two equivalent O(3), two equivalent F(3), and two equivalent F(4) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 30-31°. In the fourth V site, V(4) is bonded to two equivalent O(1), two equivalent F(5), and two equivalent F(6) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 25-33°. There are three 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(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. is represented by the CIF file [CIF]
data_VOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.237
_cell_length_b   5.379
_cell_length_c   12.809
_cell_angle_alpha   90.806
_cell_angle_beta   91.291
_cell_angle_gamma   118.599
_symmetry_Int_Tables_number   1
_cell_volume   316.619
_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  0.169  0.389  0.336  1.0
  V  V1  1  0.173  0.310  0.838  1.0
  V  V2  1  0.500  0.000  0.500  1.0
  V  V3  1  0.500  0.000  0.000  1.0
  V  V4  1  0.827  0.690  0.162  1.0
  V  V5  1  0.831  0.611  0.664  1.0
  O  O6  1  0.304  0.197  0.937  1.0
  O  O7  1  0.696  0.803  0.063  1.0
  O  O8  1  0.021  0.469  0.721  1.0
  O  O9  1  0.979  0.531  0.279  1.0
  O  O10  1  0.406  0.661  0.415  1.0
  O  O11  1  0.594  0.339  0.585  1.0
  F  F12  1  0.569  0.536  0.777  1.0
  F  F13  1  0.431  0.464  0.223  1.0
  F  F14  1  0.090  0.993  0.743  1.0
  F  F15  1  0.910  0.007  0.257  1.0
  F  F16  1  0.911  0.201  0.446  1.0
  F  F17  1  0.636  0.853  0.615  1.0
  F  F18  1  0.768  0.121  0.882  1.0
  F  F19  1  0.768  0.344  0.082  1.0
  F  F20  1  0.232  0.656  0.918  1.0
  F  F21  1  0.232  0.879  0.118  1.0
  F  F22  1  0.364  0.147  0.385  1.0
  F  F23  1  0.089  0.799  0.554  1.0
[/CIF]
.