The crystal 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 O(2), one F(10), one F(11), one F(2), one F(3), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. In the second V site, V(2) is bonded to one O(1), one F(1), one F(13), one F(4), one F(7), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the third V site, V(3) is bonded to one O(1), one F(1), one F(2), one F(3), one F(5), and one F(6) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the fourth V site, V(4) is bonded to one O(2), one F(11), one F(12), one F(14), one F(7), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. In the fifth V site, V(5) is bonded to one O(3), one F(12), one F(14), one F(15), one F(5), and one F(6) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. In the sixth V site, V(6) is bonded to one O(3), one F(10), one F(13), one F(15), one F(4), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. 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(1) and one V(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one V(2) and one V(6) 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 120 degrees geometry to one V(3) and one V(5) atom. In the seventh F site, F(7) is bonded in a bent 120 degrees geometry to one V(2) and one V(4) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(2) 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(6) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(6) atom. In the eleventh F site, F(11) is bonded in a distorted bent 120 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(4) and one V(5) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the fifteenth F site, F(15) is bonded in a distorted bent 120 degrees geometry to one V(5) and one V(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.639
_cell_length_b   8.478
_cell_length_c   8.544
_cell_angle_alpha   60.756
_cell_angle_beta   89.675
_cell_angle_gamma   89.437
_symmetry_Int_Tables_number   1
_cell_volume   293.193
_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  0.005  0.662  0.338  1.0
  V  V1  1  0.005  0.327  0.006  1.0
  V  V2  1  0.480  0.017  0.328  1.0
  V  V3  1  0.479  0.353  0.657  1.0
  V  V4  1  0.994  0.996  0.673  1.0
  V  V5  1  0.522  0.675  0.984  1.0
  O  O6  1  0.265  0.200  0.220  1.0
  O  O7  1  0.262  0.535  0.551  1.0
  O  O8  1  0.733  0.781  0.801  1.0
  F  F9  1  0.754  0.116  0.118  1.0
  F  F10  1  0.255  0.879  0.240  1.0
  F  F11  1  0.748  0.795  0.420  1.0
  F  F12  1  0.749  0.447  0.103  1.0
  F  F13  1  0.757  0.092  0.452  1.0
  F  F14  1  0.248  0.898  0.551  1.0
  F  F15  1  0.256  0.233  0.884  1.0
  F  F16  1  0.746  0.428  0.785  1.0
  F  F17  1  0.257  0.582  0.203  1.0
  F  F18  1  0.742  0.762  0.121  1.0
  F  F19  1  0.755  0.449  0.451  1.0
  F  F20  1  0.266  0.211  0.571  1.0
  F  F21  1  0.244  0.548  0.908  1.0
  F  F22  1  0.745  0.129  0.753  1.0
  F  F23  1  0.244  0.886  0.883  1.0
[/CIF]
.
The crystal 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 O(2), one F(10), one F(11), one F(2), one F(3), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-46°. In the second V site, V(2) is bonded to one O(1), one F(1), one F(13), one F(4), one F(7), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the third V site, V(3) is bonded to one O(1), one F(1), one F(2), one F(3), one F(5), and one F(6) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the fourth V site, V(4) is bonded to one O(2), one F(11), one F(12), one F(14), one F(7), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. In the fifth V site, V(5) is bonded to one O(3), one F(12), one F(14), one F(15), one F(5), and one F(6) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 38-48°. In the sixth V site, V(6) is bonded to one O(3), one F(10), one F(13), one F(15), one F(4), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. 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(1) and one V(4) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fourth F site, F(4) is bonded in a bent 120 degrees geometry to one V(2) and one V(6) 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 120 degrees geometry to one V(3) and one V(5) atom. In the seventh F site, F(7) is bonded in a bent 120 degrees geometry to one V(2) and one V(4) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(2) 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(6) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(6) atom. In the eleventh F site, F(11) is bonded in a distorted bent 120 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(4) and one V(5) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the fifteenth F site, F(15) is bonded in a distorted bent 120 degrees geometry to one V(5) and one V(6) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.639
_cell_length_b   8.478
_cell_length_c   8.544
_cell_angle_alpha   60.756
_cell_angle_beta   89.675
_cell_angle_gamma   89.437
_symmetry_Int_Tables_number   1
_cell_volume   293.193
_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  0.005  0.662  0.338  1.0
  V  V1  1  0.005  0.327  0.006  1.0
  V  V2  1  0.480  0.017  0.328  1.0
  V  V3  1  0.479  0.353  0.657  1.0
  V  V4  1  0.994  0.996  0.673  1.0
  V  V5  1  0.522  0.675  0.984  1.0
  O  O6  1  0.265  0.200  0.220  1.0
  O  O7  1  0.262  0.535  0.551  1.0
  O  O8  1  0.733  0.781  0.801  1.0
  F  F9  1  0.754  0.116  0.118  1.0
  F  F10  1  0.255  0.879  0.240  1.0
  F  F11  1  0.748  0.795  0.420  1.0
  F  F12  1  0.749  0.447  0.103  1.0
  F  F13  1  0.757  0.092  0.452  1.0
  F  F14  1  0.248  0.898  0.551  1.0
  F  F15  1  0.256  0.233  0.884  1.0
  F  F16  1  0.746  0.428  0.785  1.0
  F  F17  1  0.257  0.582  0.203  1.0
  F  F18  1  0.742  0.762  0.121  1.0
  F  F19  1  0.755  0.449  0.451  1.0
  F  F20  1  0.266  0.211  0.571  1.0
  F  F21  1  0.244  0.548  0.908  1.0
  F  F22  1  0.745  0.129  0.753  1.0
  F  F23  1  0.244  0.886  0.883  1.0
[/CIF]
.