The structure described by V2OF5 crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one F(11), one F(13), one F(14), one F(15), one F(4), and one F(7) atom to form VF6 octahedra that share  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one V(2)OF5 octahedra, and corners with four equivalent V(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 31-37°. In the second V site, V(2) is bonded to one O(1), one F(12), one F(2), one F(3), one F(4), and one F(6) atom to form VOF5 octahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(3)O2F4 octahedra, and corners with four equivalent V(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. In the third V site, V(3) is bonded to one O(1), one O(3), one F(10), one F(5), one F(8), and one F(9) atom to form VO2F4 octahedra that share  a cornercorner with one V(4)O2F4 octahedra,  a cornercorner with one V(2)OF5 octahedra, and corners with four equivalent V(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 27-40°. In the fourth V site, V(4) is bonded to one O(2), one O(3), one F(11), one F(13), one F(14), and one F(7) atom to form VO2F4 octahedra that share  a cornercorner with one V(3)O2F4 octahedra,  a cornercorner with one V(6)OF5 octahedra, and corners with four equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 27-37°. In the fifth V site, V(5) is bonded to one F(1), one F(10), one F(15), one F(5), one F(8), and one F(9) atom to form VF6 octahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(6)OF5 octahedra, and corners with four equivalent V(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-40°. In the sixth V site, V(6) is bonded to one O(2), one F(1), one F(12), one F(2), one F(3), and one F(6) atom to form VOF5 octahedra that share  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one V(4)O2F4 octahedra, and corners with four equivalent V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 28-39°. 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(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. There are fifteen 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(6) 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(1) and one V(4) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) 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(2) and one V(6) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. is represented by the CIF file [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.311
_cell_length_c   11.320
_cell_angle_alpha   99.376
_cell_angle_beta   102.861
_cell_angle_gamma   90.033
_symmetry_Int_Tables_number   1
_cell_volume   294.101
_cell_formula_units_Z   3
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  0.167  0.169  0.337  1.0
  V  V1  1  0.361  0.344  0.688  1.0
  V  V2  1  0.492  0.506  0.014  1.0
  V  V3  1  0.665  0.666  0.332  1.0
  V  V4  1  0.992  0.997  0.995  1.0
  V  V5  1  0.840  0.826  0.650  1.0
  O  O6  1  0.512  0.417  0.833  1.0
  O  O7  1  0.841  0.754  0.501  1.0
  O  O8  1  0.490  0.580  0.164  1.0
  F  F9  1  0.809  0.912  0.824  1.0
  F  F10  1  0.630  0.132  0.631  1.0
  F  F11  1  0.504  0.628  0.631  1.0
  F  F12  1  0.156  0.252  0.506  1.0
  F  F13  1  0.828  0.701  0.033  1.0
  F  F14  1  0.168  0.038  0.703  1.0
  F  F15  1  0.963  0.460  0.300  1.0
  F  F16  1  0.289  0.792  0.960  1.0
  F  F17  1  0.700  0.202  0.033  1.0
  F  F18  1  0.163  0.295  0.961  1.0
  F  F19  1  0.830  0.960  0.297  1.0
  F  F20  1  0.041  0.537  0.701  1.0
  F  F21  1  0.502  0.375  0.371  1.0
  F  F22  1  0.366  0.871  0.367  1.0
  F  F23  1  0.189  0.087  0.167  1.0
[/CIF]
.
The structure described by V2OF5 crystallizes in the triclinic P1 space group. There are six inequivalent V sites. In the first V site, V(1) is bonded to one F(11), one F(13), one F(14), one F(15), one F(4), and one F(7) atom to form VF6 octahedra that share  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one V(2)OF5 octahedra, and corners with four equivalent V(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 31-37°. In the second V site, V(2) is bonded to one O(1), one F(12), one F(2), one F(3), one F(4), and one F(6) atom to form VOF5 octahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(3)O2F4 octahedra, and corners with four equivalent V(6)OF5 octahedra. The corner-sharing octahedral tilt angles range from 30-39°. In the third V site, V(3) is bonded to one O(1), one O(3), one F(10), one F(5), one F(8), and one F(9) atom to form VO2F4 octahedra that share  a cornercorner with one V(4)O2F4 octahedra,  a cornercorner with one V(2)OF5 octahedra, and corners with four equivalent V(5)F6 octahedra. The corner-sharing octahedral tilt angles range from 27-40°. In the fourth V site, V(4) is bonded to one O(2), one O(3), one F(11), one F(13), one F(14), and one F(7) atom to form VO2F4 octahedra that share  a cornercorner with one V(3)O2F4 octahedra,  a cornercorner with one V(6)OF5 octahedra, and corners with four equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 27-37°. In the fifth V site, V(5) is bonded to one F(1), one F(10), one F(15), one F(5), one F(8), and one F(9) atom to form VF6 octahedra that share  a cornercorner with one V(1)F6 octahedra,  a cornercorner with one V(6)OF5 octahedra, and corners with four equivalent V(3)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 32-40°. In the sixth V site, V(6) is bonded to one O(2), one F(1), one F(12), one F(2), one F(3), and one F(6) atom to form VOF5 octahedra that share  a cornercorner with one V(5)F6 octahedra,  a cornercorner with one V(4)O2F4 octahedra, and corners with four equivalent V(2)OF5 octahedra. The corner-sharing octahedral tilt angles range from 28-39°. 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(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. There are fifteen 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(6) 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(1) and one V(4) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) 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(2) and one V(6) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. is represented by the CIF file [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.090
_cell_length_b   5.311
_cell_length_c   11.320
_cell_angle_alpha   99.376
_cell_angle_beta   102.861
_cell_angle_gamma   90.033
_symmetry_Int_Tables_number   1
_cell_volume   294.101
_cell_formula_units_Z   3
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  0.167  0.169  0.337  1.0
  V  V1  1  0.361  0.344  0.688  1.0
  V  V2  1  0.492  0.506  0.014  1.0
  V  V3  1  0.665  0.666  0.332  1.0
  V  V4  1  0.992  0.997  0.995  1.0
  V  V5  1  0.840  0.826  0.650  1.0
  O  O6  1  0.512  0.417  0.833  1.0
  O  O7  1  0.841  0.754  0.501  1.0
  O  O8  1  0.490  0.580  0.164  1.0
  F  F9  1  0.809  0.912  0.824  1.0
  F  F10  1  0.630  0.132  0.631  1.0
  F  F11  1  0.504  0.628  0.631  1.0
  F  F12  1  0.156  0.252  0.506  1.0
  F  F13  1  0.828  0.701  0.033  1.0
  F  F14  1  0.168  0.038  0.703  1.0
  F  F15  1  0.963  0.460  0.300  1.0
  F  F16  1  0.289  0.792  0.960  1.0
  F  F17  1  0.700  0.202  0.033  1.0
  F  F18  1  0.163  0.295  0.961  1.0
  F  F19  1  0.830  0.960  0.297  1.0
  F  F20  1  0.041  0.537  0.701  1.0
  F  F21  1  0.502  0.375  0.371  1.0
  F  F22  1  0.366  0.871  0.367  1.0
  F  F23  1  0.189  0.087  0.167  1.0
[/CIF]
.