The material 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(1), one F(1), one F(12), one F(13), one F(15), and one F(2) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 36-46°. In the second V site, V(2) is bonded to one O(1), one F(1), one F(11), one F(3), one F(7), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 35-47°. In the third V site, V(3) is bonded to one O(2), one F(4), one F(5), one F(7), one F(8), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. In the fourth V site, V(4) is bonded to one O(2), one F(10), one F(12), one F(13), one F(6), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 36-46°. In the fifth V site, V(5) is bonded to one O(3), one F(10), one F(11), one F(14), one F(3), and one F(6) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-47°. In the sixth V site, V(6) is bonded to one O(3), one F(14), one F(15), one F(2), one F(4), and one F(5) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. 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 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 bent 120 degrees geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) 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(5) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(6) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one V(3) and one V(6) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the seventh F site, F(7) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a distorted bent 120 degrees 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(2) and one V(3) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one V(2) and one V(5) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) 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 distorted bent 120 degrees geometry to one V(5) and one V(6) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(1) and one V(6) atom. is represented by the CIF card [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.630
_cell_length_b   8.521
_cell_length_c   8.581
_cell_angle_alpha   119.494
_cell_angle_beta   90.136
_cell_angle_gamma   90.461
_symmetry_Int_Tables_number   1
_cell_volume   294.640
_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  0.998  0.335  0.993  1.0
  V  V1  1  0.520  0.019  0.677  1.0
  V  V2  1  0.983  0.659  0.646  1.0
  V  V3  1  0.505  0.338  0.334  1.0
  V  V4  1  0.994  0.994  0.328  1.0
  V  V5  1  0.518  0.688  0.002  1.0
  O  O6  1  0.738  0.202  0.783  1.0
  O  O7  1  0.768  0.550  0.463  1.0
  O  O8  1  0.733  0.871  0.114  1.0
  F  F9  1  0.246  0.119  0.882  1.0
  F  F10  1  0.254  0.465  0.912  1.0
  F  F11  1  0.249  0.091  0.553  1.0
  F  F12  1  0.241  0.752  0.871  1.0
  F  F13  1  0.752  0.571  0.784  1.0
  F  F14  1  0.747  0.209  0.428  1.0
  F  F15  1  0.748  0.879  0.763  1.0
  F  F16  1  0.255  0.449  0.545  1.0
  F  F17  1  0.260  0.791  0.581  1.0
  F  F18  1  0.242  0.118  0.238  1.0
  F  F19  1  0.745  0.900  0.453  1.0
  F  F20  1  0.754  0.241  0.121  1.0
  F  F21  1  0.256  0.428  0.212  1.0
  F  F22  1  0.247  0.786  0.215  1.0
  F  F23  1  0.743  0.548  0.092  1.0
[/CIF]
.
The material 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(1), one F(1), one F(12), one F(13), one F(15), and one F(2) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 36-46°. In the second V site, V(2) is bonded to one O(1), one F(1), one F(11), one F(3), one F(7), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 35-47°. In the third V site, V(3) is bonded to one O(2), one F(4), one F(5), one F(7), one F(8), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. In the fourth V site, V(4) is bonded to one O(2), one F(10), one F(12), one F(13), one F(6), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 36-46°. In the fifth V site, V(5) is bonded to one O(3), one F(10), one F(11), one F(14), one F(3), and one F(6) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 37-47°. In the sixth V site, V(6) is bonded to one O(3), one F(14), one F(15), one F(2), one F(4), and one F(5) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 34-46°. 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 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 bent 120 degrees geometry to one V(1) and one V(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) 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(5) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(6) atom. In the fifth F site, F(5) is bonded in a distorted bent 120 degrees geometry to one V(3) and one V(6) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the seventh F site, F(7) is bonded in a distorted bent 120 degrees geometry to one V(2) and one V(3) atom. In the eighth F site, F(8) is bonded in a distorted bent 120 degrees 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(2) and one V(3) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(4) and one V(5) atom. In the eleventh F site, F(11) is bonded in a bent 120 degrees geometry to one V(2) and one V(5) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) 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 distorted bent 120 degrees geometry to one V(5) and one V(6) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(1) and one V(6) atom. is represented by the CIF card [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.630
_cell_length_b   8.521
_cell_length_c   8.581
_cell_angle_alpha   119.494
_cell_angle_beta   90.136
_cell_angle_gamma   90.461
_symmetry_Int_Tables_number   1
_cell_volume   294.640
_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  0.998  0.335  0.993  1.0
  V  V1  1  0.520  0.019  0.677  1.0
  V  V2  1  0.983  0.659  0.646  1.0
  V  V3  1  0.505  0.338  0.334  1.0
  V  V4  1  0.994  0.994  0.328  1.0
  V  V5  1  0.518  0.688  0.002  1.0
  O  O6  1  0.738  0.202  0.783  1.0
  O  O7  1  0.768  0.550  0.463  1.0
  O  O8  1  0.733  0.871  0.114  1.0
  F  F9  1  0.246  0.119  0.882  1.0
  F  F10  1  0.254  0.465  0.912  1.0
  F  F11  1  0.249  0.091  0.553  1.0
  F  F12  1  0.241  0.752  0.871  1.0
  F  F13  1  0.752  0.571  0.784  1.0
  F  F14  1  0.747  0.209  0.428  1.0
  F  F15  1  0.748  0.879  0.763  1.0
  F  F16  1  0.255  0.449  0.545  1.0
  F  F17  1  0.260  0.791  0.581  1.0
  F  F18  1  0.242  0.118  0.238  1.0
  F  F19  1  0.745  0.900  0.453  1.0
  F  F20  1  0.754  0.241  0.121  1.0
  F  F21  1  0.256  0.428  0.212  1.0
  F  F22  1  0.247  0.786  0.215  1.0
  F  F23  1  0.743  0.548  0.092  1.0
[/CIF]
.