The compound 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(2), one O(6), one F(11), one F(12), one F(4), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 20-42°. In the second V site, V(2) is bonded to one O(1), one O(5), one F(2), one F(3), one F(4), and one F(6) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. In the third V site, V(3) is bonded to one O(3), one O(4), one F(10), one F(3), one F(5), and one F(7) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 27-44°. In the fourth V site, V(4) is bonded to one O(2), one O(6), one F(10), one F(11), one F(8), and one F(9) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 20-41°. In the fifth V site, V(5) is bonded to one O(3), one O(4), one F(1), one F(12), one F(5), and one F(7) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 22-44°. In the sixth V site, V(6) is bonded to one O(1), one O(5), one F(1), one F(2), one F(6), and one F(9) 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(2) and one V(6) 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(3) and one V(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) 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(5) and one V(6) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) 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(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.052
_cell_length_b   5.292
_cell_length_c   11.511
_cell_angle_alpha   100.521
_cell_angle_beta   102.332
_cell_angle_gamma   90.181
_symmetry_Int_Tables_number   1
_cell_volume   295.275
_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  0.852  0.803  0.664  1.0
  V  V1  1  0.700  0.696  0.336  1.0
  V  V2  1  0.519  0.530  0.997  1.0
  V  V3  1  0.354  0.343  0.669  1.0
  V  V4  1  0.033  0.026  0.005  1.0
  V  V5  1  0.186  0.202  0.329  1.0
  O  O6  1  0.965  0.891  0.360  1.0
  O  O7  1  0.617  0.552  0.691  1.0
  O  O8  1  0.299  0.221  0.032  1.0
  O  O9  1  0.685  0.774  0.973  1.0
  O  O10  1  0.355  0.445  0.307  1.0
  O  O11  1  0.090  0.596  0.637  1.0
  F  F12  1  0.965  0.095  0.167  1.0
  F  F13  1  0.885  0.392  0.376  1.0
  F  F14  1  0.689  0.559  0.167  1.0
  F  F15  1  0.640  0.763  0.500  1.0
  F  F16  1  0.765  0.267  0.957  1.0
  F  F17  1  0.431  0.937  0.287  1.0
  F  F18  1  0.213  0.717  0.040  1.0
  F  F19  1  0.558  0.047  0.701  1.0
  F  F20  1  0.353  0.223  0.499  1.0
  F  F21  1  0.304  0.411  0.835  1.0
  F  F22  1  0.026  0.105  0.636  1.0
  F  F23  1  0.016  0.904  0.834  1.0
[/CIF]
.
The compound 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(2), one O(6), one F(11), one F(12), one F(4), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 20-42°. In the second V site, V(2) is bonded to one O(1), one O(5), one F(2), one F(3), one F(4), and one F(6) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 26-44°. In the third V site, V(3) is bonded to one O(3), one O(4), one F(10), one F(3), one F(5), and one F(7) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 27-44°. In the fourth V site, V(4) is bonded to one O(2), one O(6), one F(10), one F(11), one F(8), and one F(9) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 20-41°. In the fifth V site, V(5) is bonded to one O(3), one O(4), one F(1), one F(12), one F(5), and one F(7) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 22-44°. In the sixth V site, V(6) is bonded to one O(1), one O(5), one F(1), one F(2), one F(6), and one F(9) 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(2) and one V(6) 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(3) and one V(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) 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(5) and one V(6) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) 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(2) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.052
_cell_length_b   5.292
_cell_length_c   11.511
_cell_angle_alpha   100.521
_cell_angle_beta   102.332
_cell_angle_gamma   90.181
_symmetry_Int_Tables_number   1
_cell_volume   295.275
_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  0.852  0.803  0.664  1.0
  V  V1  1  0.700  0.696  0.336  1.0
  V  V2  1  0.519  0.530  0.997  1.0
  V  V3  1  0.354  0.343  0.669  1.0
  V  V4  1  0.033  0.026  0.005  1.0
  V  V5  1  0.186  0.202  0.329  1.0
  O  O6  1  0.965  0.891  0.360  1.0
  O  O7  1  0.617  0.552  0.691  1.0
  O  O8  1  0.299  0.221  0.032  1.0
  O  O9  1  0.685  0.774  0.973  1.0
  O  O10  1  0.355  0.445  0.307  1.0
  O  O11  1  0.090  0.596  0.637  1.0
  F  F12  1  0.965  0.095  0.167  1.0
  F  F13  1  0.885  0.392  0.376  1.0
  F  F14  1  0.689  0.559  0.167  1.0
  F  F15  1  0.640  0.763  0.500  1.0
  F  F16  1  0.765  0.267  0.957  1.0
  F  F17  1  0.431  0.937  0.287  1.0
  F  F18  1  0.213  0.717  0.040  1.0
  F  F19  1  0.558  0.047  0.701  1.0
  F  F20  1  0.353  0.223  0.499  1.0
  F  F21  1  0.304  0.411  0.835  1.0
  F  F22  1  0.026  0.105  0.636  1.0
  F  F23  1  0.016  0.904  0.834  1.0
[/CIF]
.