The crystal structure described by V2OF5 crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(13), one F(19), one F(20), one F(5), and one F(6) atom to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(12), one F(16), one F(17), and one F(3) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-45°. In the third V site, V(3) is bonded to one O(3), one F(1), one F(15), one F(19), one F(20), and one F(5) atom to form distorted VOF5 octahedra that share corners with two equivalent V(7)O2F4 octahedra and edges with two equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. In the fourth V site, V(4) is bonded to one O(1), one F(10), one F(11), one F(16), one F(7), and one F(9) atom to form distorted VOF5 octahedra that share corners with two equivalent V(2)O2F4 octahedra and edges with two equivalent V(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-42°. In the fifth V site, V(5) is bonded to one O(2), one F(12), one F(13), one F(17), one F(3), and one F(6) atom to form VOF5 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with four equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. In the sixth V site, V(6) is bonded to one F(10), one F(11), one F(18), one F(4), one F(7), and one F(9) atom to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the seventh V site, V(7) is bonded to one O(3), one O(4), one F(14), one F(15), one F(2), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. In the eighth V site, V(8) is bonded to one O(4), one F(14), one F(18), one F(2), one F(4), and one F(8) atom to form VOF5 octahedra that share corners with two equivalent V(6)F6 octahedra and corners with four equivalent V(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 35-48°. There are four 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(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(7) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(7) and one V(8) atom. There are twenty inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one V(1) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(7) and one V(8) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(6) and one V(8) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one V(1) and one V(3) atom. In the sixth F site, F(6) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(5) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one V(4) and one V(6) atom. In the eighth F site, F(8) is bonded in a distorted bent 120 degrees geometry to one V(7) and one V(8) atom. In the ninth F site, F(9) is bonded in a water-like geometry to one V(4) and one V(6) atom. In the tenth F site, F(10) is bonded in a water-like geometry to one V(4) and one V(6) atom. In the eleventh F site, F(11) is bonded in a water-like geometry to one V(4) and one V(6) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(7) and one V(8) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(3) and one V(7) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the seventeenth F site, F(17) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(5) atom. In the eighteenth F site, F(18) is bonded in a bent 120 degrees geometry to one V(6) and one V(8) atom. In the nineteenth F site, F(19) is bonded in a water-like geometry to one V(1) and one V(3) atom. In the twentieth F site, F(20) is bonded in a water-like geometry to one V(1) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.707
_cell_length_b   5.064
_cell_length_c   17.367
_cell_angle_alpha   90.773
_cell_angle_beta   90.285
_cell_angle_gamma   90.109
_symmetry_Int_Tables_number   1
_cell_volume   413.891
_cell_formula_units_Z   4
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  0.003  0.256  0.952  1.0
  V  V1  1  0.021  0.759  0.717  1.0
  V  V2  1  0.027  0.767  0.056  1.0
  V  V3  1  0.478  0.768  0.557  1.0
  V  V4  1  0.495  0.238  0.788  1.0
  V  V5  1  0.500  0.253  0.451  1.0
  V  V6  1  0.500  0.751  0.213  1.0
  V  V7  1  0.976  0.282  0.289  1.0
  O  O8  1  0.246  0.866  0.626  1.0
  O  O9  1  0.236  0.930  0.778  1.0
  O  O10  1  0.255  0.865  0.126  1.0
  O  O11  1  0.759  0.548  0.282  1.0
  F  F12  1  0.221  0.928  0.967  1.0
  F  F13  1  0.245  0.951  0.283  1.0
  F  F14  1  0.252  0.433  0.715  1.0
  F  F15  1  0.240  0.393  0.370  1.0
  F  F16  1  0.223  0.427  0.037  1.0
  F  F17  1  0.257  0.395  0.872  1.0
  F  F18  1  0.281  0.428  0.536  1.0
  F  F19  1  0.252  0.425  0.215  1.0
  F  F20  1  0.283  0.928  0.467  1.0
  F  F21  1  0.708  0.578  0.472  1.0
  F  F22  1  0.718  0.068  0.536  1.0
  F  F23  1  0.752  0.561  0.782  1.0
  F  F24  1  0.742  0.113  0.871  1.0
  F  F25  1  0.759  0.066  0.214  1.0
  F  F26  1  0.745  0.615  0.126  1.0
  F  F27  1  0.760  0.622  0.629  1.0
  F  F28  1  0.752  0.060  0.712  1.0
  F  F29  1  0.758  0.110  0.371  1.0
  F  F30  1  0.795  0.581  0.970  1.0
  F  F31  1  0.786  0.068  0.036  1.0
[/CIF]
.
The crystal structure described by V2OF5 crystallizes in the triclinic P1 space group. There are eight inequivalent V sites. In the first V site, V(1) is bonded to one F(1), one F(13), one F(19), one F(20), one F(5), and one F(6) atom to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 40-44°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(12), one F(16), one F(17), and one F(3) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-45°. In the third V site, V(3) is bonded to one O(3), one F(1), one F(15), one F(19), one F(20), and one F(5) atom to form distorted VOF5 octahedra that share corners with two equivalent V(7)O2F4 octahedra and edges with two equivalent V(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-44°. In the fourth V site, V(4) is bonded to one O(1), one F(10), one F(11), one F(16), one F(7), and one F(9) atom to form distorted VOF5 octahedra that share corners with two equivalent V(2)O2F4 octahedra and edges with two equivalent V(6)F6 octahedra. The corner-sharing octahedral tilt angles range from 34-42°. In the fifth V site, V(5) is bonded to one O(2), one F(12), one F(13), one F(17), one F(3), and one F(6) atom to form VOF5 octahedra that share corners with two equivalent V(1)F6 octahedra and corners with four equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 35-45°. In the sixth V site, V(6) is bonded to one F(10), one F(11), one F(18), one F(4), one F(7), and one F(9) atom to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 37-48°. In the seventh V site, V(7) is bonded to one O(3), one O(4), one F(14), one F(15), one F(2), and one F(8) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. In the eighth V site, V(8) is bonded to one O(4), one F(14), one F(18), one F(2), one F(4), and one F(8) atom to form VOF5 octahedra that share corners with two equivalent V(6)F6 octahedra and corners with four equivalent V(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 35-48°. There are four 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(4) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(7) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(7) and one V(8) atom. There are twenty inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one V(1) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(7) and one V(8) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(6) and one V(8) atom. In the fifth F site, F(5) is bonded in a water-like geometry to one V(1) and one V(3) atom. In the sixth F site, F(6) is bonded in a distorted bent 150 degrees geometry to one V(1) and one V(5) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one V(4) and one V(6) atom. In the eighth F site, F(8) is bonded in a distorted bent 120 degrees geometry to one V(7) and one V(8) atom. In the ninth F site, F(9) is bonded in a water-like geometry to one V(4) and one V(6) atom. In the tenth F site, F(10) is bonded in a water-like geometry to one V(4) and one V(6) atom. In the eleventh F site, F(11) is bonded in a water-like geometry to one V(4) and one V(6) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(2) and one V(5) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(7) and one V(8) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(3) and one V(7) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the seventeenth F site, F(17) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(5) atom. In the eighteenth F site, F(18) is bonded in a bent 120 degrees geometry to one V(6) and one V(8) atom. In the nineteenth F site, F(19) is bonded in a water-like geometry to one V(1) and one V(3) atom. In the twentieth F site, F(20) is bonded in a water-like geometry to one V(1) and one V(3) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.707
_cell_length_b   5.064
_cell_length_c   17.367
_cell_angle_alpha   90.773
_cell_angle_beta   90.285
_cell_angle_gamma   90.109
_symmetry_Int_Tables_number   1
_cell_volume   413.891
_cell_formula_units_Z   4
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  0.003  0.256  0.952  1.0
  V  V1  1  0.021  0.759  0.717  1.0
  V  V2  1  0.027  0.767  0.056  1.0
  V  V3  1  0.478  0.768  0.557  1.0
  V  V4  1  0.495  0.238  0.788  1.0
  V  V5  1  0.500  0.253  0.451  1.0
  V  V6  1  0.500  0.751  0.213  1.0
  V  V7  1  0.976  0.282  0.289  1.0
  O  O8  1  0.246  0.866  0.626  1.0
  O  O9  1  0.236  0.930  0.778  1.0
  O  O10  1  0.255  0.865  0.126  1.0
  O  O11  1  0.759  0.548  0.282  1.0
  F  F12  1  0.221  0.928  0.967  1.0
  F  F13  1  0.245  0.951  0.283  1.0
  F  F14  1  0.252  0.433  0.715  1.0
  F  F15  1  0.240  0.393  0.370  1.0
  F  F16  1  0.223  0.427  0.037  1.0
  F  F17  1  0.257  0.395  0.872  1.0
  F  F18  1  0.281  0.428  0.536  1.0
  F  F19  1  0.252  0.425  0.215  1.0
  F  F20  1  0.283  0.928  0.467  1.0
  F  F21  1  0.708  0.578  0.472  1.0
  F  F22  1  0.718  0.068  0.536  1.0
  F  F23  1  0.752  0.561  0.782  1.0
  F  F24  1  0.742  0.113  0.871  1.0
  F  F25  1  0.759  0.066  0.214  1.0
  F  F26  1  0.745  0.615  0.126  1.0
  F  F27  1  0.760  0.622  0.629  1.0
  F  F28  1  0.752  0.060  0.712  1.0
  F  F29  1  0.758  0.110  0.371  1.0
  F  F30  1  0.795  0.581  0.970  1.0
  F  F31  1  0.786  0.068  0.036  1.0
[/CIF]
.