The crystal structure described by V2OF5 crystallizes in the monoclinic Pc space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(10), one F(2), one F(4), one F(6), and one F(9) atom to form VOF5 octahedra that share corners with two equivalent V(4)F6 octahedra and corners with four equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-47°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(3), one F(4), one F(6), and one F(9) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 33-46°. In the third V site, V(3) is bonded to one O(2), one F(1), one F(3), one F(5), one F(7), and one F(8) atom to form distorted VOF5 octahedra that share corners with two equivalent V(2)O2F4 octahedra and edges with two equivalent V(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. In the fourth V site, V(4) is bonded to one F(1), one F(10), one F(2), one F(5), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 38-47°. There are two 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(2) and one V(3) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one V(3) 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(4) atom. In the third F site, F(3) is bonded in a distorted 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 water-like geometry to one V(3) and one V(4) atom. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one V(3) and one V(4) atom. In the eighth F site, F(8) is bonded in a water-like geometry to one V(3) 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(2) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. is represented by the CIF file [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.064
_cell_length_b   4.716
_cell_length_c   18.042
_cell_angle_alpha   74.838
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.848
_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  0.470  0.735  0.288  1.0
  V  V1  1  0.002  0.287  0.713  1.0
  V  V2  1  0.998  0.287  0.213  1.0
  V  V3  1  0.017  0.915  0.557  1.0
  V  V4  1  0.510  0.053  0.451  1.0
  V  V5  1  0.530  0.735  0.788  1.0
  V  V6  1  0.983  0.915  0.057  1.0
  V  V7  1  0.490  0.053  0.951  1.0
  O  O8  1  0.206  0.960  0.281  1.0
  O  O9  1  0.113  0.619  0.626  1.0
  O  O10  1  0.887  0.619  0.126  1.0
  O  O11  1  0.794  0.960  0.781  1.0
  F  F12  1  0.682  0.178  0.036  1.0
  F  F13  1  0.644  0.870  0.371  1.0
  F  F14  1  0.135  0.128  0.126  1.0
  F  F15  1  0.683  0.025  0.214  1.0
  F  F16  1  0.170  0.240  0.970  1.0
  F  F17  1  0.675  0.535  0.715  1.0
  F  F18  1  0.680  0.745  0.535  1.0
  F  F19  1  0.182  0.818  0.467  1.0
  F  F20  1  0.199  0.470  0.783  1.0
  F  F21  1  0.636  0.392  0.870  1.0
  F  F22  1  0.830  0.240  0.470  1.0
  F  F23  1  0.325  0.535  0.215  1.0
  F  F24  1  0.318  0.178  0.536  1.0
  F  F25  1  0.320  0.745  0.035  1.0
  F  F26  1  0.801  0.470  0.283  1.0
  F  F27  1  0.364  0.392  0.370  1.0
  F  F28  1  0.356  0.870  0.871  1.0
  F  F29  1  0.865  0.128  0.626  1.0
  F  F30  1  0.317  0.025  0.714  1.0
  F  F31  1  0.818  0.818  0.967  1.0
[/CIF]
.
The crystal structure described by V2OF5 crystallizes in the monoclinic Pc space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one F(10), one F(2), one F(4), one F(6), and one F(9) atom to form VOF5 octahedra that share corners with two equivalent V(4)F6 octahedra and corners with four equivalent V(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 34-47°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(3), one F(4), one F(6), and one F(9) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 33-46°. In the third V site, V(3) is bonded to one O(2), one F(1), one F(3), one F(5), one F(7), and one F(8) atom to form distorted VOF5 octahedra that share corners with two equivalent V(2)O2F4 octahedra and edges with two equivalent V(4)F6 octahedra. The corner-sharing octahedral tilt angles range from 33-44°. In the fourth V site, V(4) is bonded to one F(1), one F(10), one F(2), one F(5), one F(7), and one F(8) atom to form a mixture of corner and edge-sharing VF6 octahedra. The corner-sharing octahedral tilt angles range from 38-47°. There are two 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(2) and one V(3) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a water-like geometry to one V(3) 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(4) atom. In the third F site, F(3) is bonded in a distorted 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 water-like geometry to one V(3) and one V(4) atom. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one V(1) and one V(2) atom. In the seventh F site, F(7) is bonded in a water-like geometry to one V(3) and one V(4) atom. In the eighth F site, F(8) is bonded in a water-like geometry to one V(3) 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(2) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. is represented by the CIF file [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.064
_cell_length_b   4.716
_cell_length_c   18.042
_cell_angle_alpha   74.838
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   415.848
_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  0.470  0.735  0.288  1.0
  V  V1  1  0.002  0.287  0.713  1.0
  V  V2  1  0.998  0.287  0.213  1.0
  V  V3  1  0.017  0.915  0.557  1.0
  V  V4  1  0.510  0.053  0.451  1.0
  V  V5  1  0.530  0.735  0.788  1.0
  V  V6  1  0.983  0.915  0.057  1.0
  V  V7  1  0.490  0.053  0.951  1.0
  O  O8  1  0.206  0.960  0.281  1.0
  O  O9  1  0.113  0.619  0.626  1.0
  O  O10  1  0.887  0.619  0.126  1.0
  O  O11  1  0.794  0.960  0.781  1.0
  F  F12  1  0.682  0.178  0.036  1.0
  F  F13  1  0.644  0.870  0.371  1.0
  F  F14  1  0.135  0.128  0.126  1.0
  F  F15  1  0.683  0.025  0.214  1.0
  F  F16  1  0.170  0.240  0.970  1.0
  F  F17  1  0.675  0.535  0.715  1.0
  F  F18  1  0.680  0.745  0.535  1.0
  F  F19  1  0.182  0.818  0.467  1.0
  F  F20  1  0.199  0.470  0.783  1.0
  F  F21  1  0.636  0.392  0.870  1.0
  F  F22  1  0.830  0.240  0.470  1.0
  F  F23  1  0.325  0.535  0.215  1.0
  F  F24  1  0.318  0.178  0.536  1.0
  F  F25  1  0.320  0.745  0.035  1.0
  F  F26  1  0.801  0.470  0.283  1.0
  F  F27  1  0.364  0.392  0.370  1.0
  F  F28  1  0.356  0.870  0.871  1.0
  F  F29  1  0.865  0.128  0.626  1.0
  F  F30  1  0.317  0.025  0.714  1.0
  F  F31  1  0.818  0.818  0.967  1.0
[/CIF]
.