The material 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(2), one F(5), and one F(9) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. In the second V site, V(2) is bonded to one O(2), one O(6), one F(10), one F(11), one F(3), and one F(4) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 21-44°. In the third V site, V(3) is bonded to one O(1), one O(2), one F(1), one F(11), one F(4), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 21-38°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one F(1), one F(12), one F(5), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 24-44°. In the fifth V site, V(5) is bonded to one O(4), one O(5), one F(2), one F(6), one F(7), and one F(9) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. In the sixth V site, V(6) is bonded to one O(4), one O(6), one F(10), one F(3), one F(6), and one F(7) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) 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(5) and one V(6) 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 bent 150 degrees geometry to one V(1) and one V(5) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) 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(5) and one V(6) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) 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 file [CIF]
data_VOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.052
_cell_length_b   5.057
_cell_length_c   13.163
_cell_angle_alpha   89.473
_cell_angle_beta   89.896
_cell_angle_gamma   60.515
_symmetry_Int_Tables_number   1
_cell_volume   292.734
_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  0.968  1.000  0.507  1.0
  V  V1  1  0.003  0.970  0.008  1.0
  V  V2  1  0.701  0.639  0.172  1.0
  V  V3  1  0.318  0.311  0.338  1.0
  V  V4  1  0.659  0.642  0.675  1.0
  V  V5  1  0.310  0.323  0.843  1.0
  O  O6  1  0.995  0.412  0.247  1.0
  O  O7  1  0.919  0.748  0.081  1.0
  O  O8  1  0.255  0.093  0.415  1.0
  O  O9  1  0.589  0.422  0.748  1.0
  O  O10  1  0.751  0.930  0.582  1.0
  O  O11  1  0.093  0.251  0.918  1.0
  F  F12  1  0.605  0.005  0.249  1.0
  F  F13  1  0.948  0.336  0.584  1.0
  F  F14  1  0.693  0.048  0.906  1.0
  F  F15  1  0.718  0.340  0.078  1.0
  F  F16  1  0.661  0.289  0.415  1.0
  F  F17  1  0.997  0.617  0.753  1.0
  F  F18  1  0.384  0.020  0.741  1.0
  F  F19  1  0.399  0.599  0.248  1.0
  F  F20  1  0.350  0.725  0.574  1.0
  F  F21  1  0.295  0.654  0.920  1.0
  F  F22  1  0.334  0.936  0.088  1.0
  F  F23  1  0.054  0.690  0.408  1.0
[/CIF]
.
The material 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(2), one F(5), and one F(9) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. In the second V site, V(2) is bonded to one O(2), one O(6), one F(10), one F(11), one F(3), and one F(4) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 21-44°. In the third V site, V(3) is bonded to one O(1), one O(2), one F(1), one F(11), one F(4), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 21-38°. In the fourth V site, V(4) is bonded to one O(1), one O(3), one F(1), one F(12), one F(5), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 24-44°. In the fifth V site, V(5) is bonded to one O(4), one O(5), one F(2), one F(6), one F(7), and one F(9) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. In the sixth V site, V(6) is bonded to one O(4), one O(6), one F(10), one F(3), one F(6), and one F(7) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) 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(5) and one V(6) 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 bent 150 degrees geometry to one V(1) and one V(5) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) 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(5) and one V(6) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) 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 file [CIF]
data_VOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.052
_cell_length_b   5.057
_cell_length_c   13.163
_cell_angle_alpha   89.473
_cell_angle_beta   89.896
_cell_angle_gamma   60.515
_symmetry_Int_Tables_number   1
_cell_volume   292.734
_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  0.968  1.000  0.507  1.0
  V  V1  1  0.003  0.970  0.008  1.0
  V  V2  1  0.701  0.639  0.172  1.0
  V  V3  1  0.318  0.311  0.338  1.0
  V  V4  1  0.659  0.642  0.675  1.0
  V  V5  1  0.310  0.323  0.843  1.0
  O  O6  1  0.995  0.412  0.247  1.0
  O  O7  1  0.919  0.748  0.081  1.0
  O  O8  1  0.255  0.093  0.415  1.0
  O  O9  1  0.589  0.422  0.748  1.0
  O  O10  1  0.751  0.930  0.582  1.0
  O  O11  1  0.093  0.251  0.918  1.0
  F  F12  1  0.605  0.005  0.249  1.0
  F  F13  1  0.948  0.336  0.584  1.0
  F  F14  1  0.693  0.048  0.906  1.0
  F  F15  1  0.718  0.340  0.078  1.0
  F  F16  1  0.661  0.289  0.415  1.0
  F  F17  1  0.997  0.617  0.753  1.0
  F  F18  1  0.384  0.020  0.741  1.0
  F  F19  1  0.399  0.599  0.248  1.0
  F  F20  1  0.350  0.725  0.574  1.0
  F  F21  1  0.295  0.654  0.920  1.0
  F  F22  1  0.334  0.936  0.088  1.0
  F  F23  1  0.054  0.690  0.408  1.0
[/CIF]
.