The compound 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(1), one O(3), one F(1), one F(2), one F(4), and one F(5) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. In the second V site, V(2) is bonded to one O(1), one O(3), one F(2), one F(3), one F(4), and one F(5) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent F(3), and two equivalent F(6) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(6) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 19-37°. There are three 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(3) and one V(4) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) 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(4) atom. In the second F site, F(2) is bonded in a bent 120 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(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(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(3) 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   5.156
_cell_length_b   5.355
_cell_length_c   11.802
_cell_angle_alpha   100.375
_cell_angle_beta   102.363
_cell_angle_gamma   91.677
_symmetry_Int_Tables_number   1
_cell_volume   312.323
_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  0.142  0.199  0.330  1.0
  V  V1  1  0.366  0.303  0.661  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.634  0.697  0.339  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  V  V5  1  0.858  0.801  0.670  1.0
  O  O6  1  0.606  0.114  0.637  1.0
  O  O7  1  0.784  0.737  0.022  1.0
  O  O8  1  0.956  0.442  0.312  1.0
  O  O9  1  0.216  0.263  0.978  1.0
  O  O10  1  0.044  0.558  0.688  1.0
  O  O11  1  0.394  0.886  0.363  1.0
  F  F12  1  0.808  0.924  0.831  1.0
  F  F13  1  0.507  0.615  0.625  1.0
  F  F14  1  0.513  0.421  0.832  1.0
  F  F15  1  0.146  0.223  0.499  1.0
  F  F16  1  0.142  0.069  0.712  1.0
  F  F17  1  0.259  0.761  0.958  1.0
  F  F18  1  0.741  0.239  0.042  1.0
  F  F19  1  0.858  0.931  0.288  1.0
  F  F20  1  0.854  0.777  0.501  1.0
  F  F21  1  0.487  0.579  0.168  1.0
  F  F22  1  0.493  0.385  0.375  1.0
  F  F23  1  0.192  0.076  0.169  1.0
[/CIF]
.
The compound 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(1), one O(3), one F(1), one F(2), one F(4), and one F(5) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. In the second V site, V(2) is bonded to one O(1), one O(3), one F(2), one F(3), one F(4), and one F(5) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 24-46°. In the third V site, V(3) is bonded to two equivalent O(2), two equivalent F(3), and two equivalent F(6) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 19-31°. In the fourth V site, V(4) is bonded to two equivalent O(2), two equivalent F(1), and two equivalent F(6) atoms to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 19-37°. There are three 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(3) and one V(4) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(2) 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(4) atom. In the second F site, F(2) is bonded in a bent 120 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(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(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(3) 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   5.156
_cell_length_b   5.355
_cell_length_c   11.802
_cell_angle_alpha   100.375
_cell_angle_beta   102.363
_cell_angle_gamma   91.677
_symmetry_Int_Tables_number   1
_cell_volume   312.323
_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  0.142  0.199  0.330  1.0
  V  V1  1  0.366  0.303  0.661  1.0
  V  V2  1  0.500  0.500  0.000  1.0
  V  V3  1  0.634  0.697  0.339  1.0
  V  V4  1  0.000  0.000  0.000  1.0
  V  V5  1  0.858  0.801  0.670  1.0
  O  O6  1  0.606  0.114  0.637  1.0
  O  O7  1  0.784  0.737  0.022  1.0
  O  O8  1  0.956  0.442  0.312  1.0
  O  O9  1  0.216  0.263  0.978  1.0
  O  O10  1  0.044  0.558  0.688  1.0
  O  O11  1  0.394  0.886  0.363  1.0
  F  F12  1  0.808  0.924  0.831  1.0
  F  F13  1  0.507  0.615  0.625  1.0
  F  F14  1  0.513  0.421  0.832  1.0
  F  F15  1  0.146  0.223  0.499  1.0
  F  F16  1  0.142  0.069  0.712  1.0
  F  F17  1  0.259  0.761  0.958  1.0
  F  F18  1  0.741  0.239  0.042  1.0
  F  F19  1  0.858  0.931  0.288  1.0
  F  F20  1  0.854  0.777  0.501  1.0
  F  F21  1  0.487  0.579  0.168  1.0
  F  F22  1  0.493  0.385  0.375  1.0
  F  F23  1  0.192  0.076  0.169  1.0
[/CIF]
.