The compound described by VOF2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), two equivalent F(2), and two equivalent F(4) atoms to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 28-38°. In the second V site, V(2) is bonded to one O(1), one O(2), two equivalent F(1), and two equivalent F(3) atoms to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) 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. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_VOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.072
_cell_length_b   5.273
_cell_length_c   7.292
_cell_angle_alpha   93.939
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.577
_cell_formula_units_Z   4
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  0.480  0.500  0.536  1.0
  V  V1  1  0.521  0.500  0.036  1.0
  V  V2  1  0.021  0.999  0.964  1.0
  V  V3  1  0.980  1.000  0.464  1.0
  O  O4  1  0.591  0.501  0.255  1.0
  O  O5  1  0.090  0.999  0.745  1.0
  O  O6  1  0.909  0.001  0.246  1.0
  O  O7  1  0.409  0.500  0.754  1.0
  F  F8  1  0.693  0.188  0.950  1.0
  F  F9  1  0.178  0.683  0.450  1.0
  F  F10  1  0.678  0.817  0.550  1.0
  F  F11  1  0.193  0.312  0.050  1.0
  F  F12  1  0.820  0.685  0.950  1.0
  F  F13  1  0.310  0.186  0.450  1.0
  F  F14  1  0.810  0.314  0.550  1.0
  F  F15  1  0.320  0.815  0.050  1.0
[/CIF]
.
The compound described by VOF2 crystallizes in the monoclinic P2_1 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), two equivalent F(2), and two equivalent F(4) atoms to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 28-38°. In the second V site, V(2) is bonded to one O(1), one O(2), two equivalent F(1), and two equivalent F(3) atoms to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 28-37°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) 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. There are four inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the third F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_VOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.072
_cell_length_b   5.273
_cell_length_c   7.292
_cell_angle_alpha   93.939
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   194.577
_cell_formula_units_Z   4
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  0.480  0.500  0.536  1.0
  V  V1  1  0.521  0.500  0.036  1.0
  V  V2  1  0.021  0.999  0.964  1.0
  V  V3  1  0.980  1.000  0.464  1.0
  O  O4  1  0.591  0.501  0.255  1.0
  O  O5  1  0.090  0.999  0.745  1.0
  O  O6  1  0.909  0.001  0.246  1.0
  O  O7  1  0.409  0.500  0.754  1.0
  F  F8  1  0.693  0.188  0.950  1.0
  F  F9  1  0.178  0.683  0.450  1.0
  F  F10  1  0.678  0.817  0.550  1.0
  F  F11  1  0.193  0.312  0.050  1.0
  F  F12  1  0.820  0.685  0.950  1.0
  F  F13  1  0.310  0.186  0.450  1.0
  F  F14  1  0.810  0.314  0.550  1.0
  F  F15  1  0.320  0.815  0.050  1.0
[/CIF]
.