The material 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 O(2), one F(1), one F(15), one F(2), one F(3), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-34°. In the second V site, V(2) is bonded to one O(1), one F(10), one F(12), one F(16), one F(5), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. In the third V site, V(3) is bonded to one O(3), one F(11), one F(15), one F(3), one F(4), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. In the fourth V site, V(4) is bonded to one O(4), one F(10), one F(16), one F(17), one F(6), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 23-35°. In the fifth V site, V(5) is bonded to one O(3), one F(11), one F(14), one F(19), one F(4), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. In the sixth V site, V(6) is bonded to one O(4), one F(13), one F(17), one F(18), one F(20), and one F(6) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 23-35°. In the seventh V site, V(7) is bonded to one O(2), one F(1), one F(13), one F(18), one F(2), and one F(20) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-34°. In the eighth V site, V(8) is bonded to one O(1), one F(12), one F(14), one F(19), one F(5), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. 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(8) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. There are twenty inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) 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 150 degrees geometry to one V(3) and one V(5) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(4) 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(3) 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(5) and one V(8) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) 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 bent 150 degrees geometry to one V(4) and one V(6) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the nineteenth F site, F(19) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the twentieth F site, F(20) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. is represented by the CIF card [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.266
_cell_length_b   5.434
_cell_length_c   17.440
_cell_angle_alpha   83.073
_cell_angle_beta   81.538
_cell_angle_gamma   61.099
_symmetry_Int_Tables_number   1
_cell_volume   431.419
_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  0.601  0.650  0.120  1.0
  V  V1  1  0.131  0.108  0.624  1.0
  V  V2  1  0.234  0.286  0.254  1.0
  V  V3  1  0.746  0.727  0.757  1.0
  V  V4  1  0.872  0.877  0.374  1.0
  V  V5  1  0.391  0.374  0.874  1.0
  V  V6  1  0.013  0.001  0.002  1.0
  V  V7  1  0.492  0.519  0.504  1.0
  O  O8  1  0.392  0.790  0.560  1.0
  O  O9  1  0.382  0.795  0.048  1.0
  O  O10  1  0.134  0.560  0.307  1.0
  O  O11  1  0.602  0.579  0.828  1.0
  F  F12  1  0.832  0.846  0.090  1.0
  F  F13  1  0.911  0.330  0.061  1.0
  F  F14  1  0.347  0.943  0.192  1.0
  F  F15  1  0.629  0.054  0.287  1.0
  F  F16  1  0.353  0.313  0.584  1.0
  F  F17  1  0.146  0.527  0.786  1.0
  F  F18  1  0.417  0.411  0.162  1.0
  F  F19  1  0.907  0.908  0.669  1.0
  F  F20  1  0.111  0.698  0.460  1.0
  F  F21  1  0.848  0.441  0.683  1.0
  F  F22  1  0.090  0.084  0.336  1.0
  F  F23  1  0.888  0.285  0.536  1.0
  F  F24  1  0.626  0.215  0.963  1.0
  F  F25  1  0.652  0.671  0.412  1.0
  F  F26  1  0.861  0.458  0.207  1.0
  F  F27  1  0.372  0.959  0.711  1.0
  F  F28  1  0.679  0.045  0.815  1.0
  F  F29  1  0.103  0.689  0.938  1.0
  F  F30  1  0.592  0.202  0.438  1.0
  F  F31  1  0.179  0.161  0.913  1.0
[/CIF]
.
The material 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 O(2), one F(1), one F(15), one F(2), one F(3), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-34°. In the second V site, V(2) is bonded to one O(1), one F(10), one F(12), one F(16), one F(5), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. In the third V site, V(3) is bonded to one O(3), one F(11), one F(15), one F(3), one F(4), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. In the fourth V site, V(4) is bonded to one O(4), one F(10), one F(16), one F(17), one F(6), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 23-35°. In the fifth V site, V(5) is bonded to one O(3), one F(11), one F(14), one F(19), one F(4), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. In the sixth V site, V(6) is bonded to one O(4), one F(13), one F(17), one F(18), one F(20), and one F(6) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 23-35°. In the seventh V site, V(7) is bonded to one O(2), one F(1), one F(13), one F(18), one F(2), and one F(20) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-34°. In the eighth V site, V(8) is bonded to one O(1), one F(12), one F(14), one F(19), one F(5), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 22-34°. 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(8) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. There are twenty inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(7) 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 150 degrees geometry to one V(3) and one V(5) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(4) 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(3) 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(5) and one V(8) atom. In the tenth F site, F(10) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(2) and one V(8) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) 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 bent 150 degrees geometry to one V(4) and one V(6) atom. In the eighteenth F site, F(18) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the nineteenth F site, F(19) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the twentieth F site, F(20) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. is represented by the CIF card [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.266
_cell_length_b   5.434
_cell_length_c   17.440
_cell_angle_alpha   83.073
_cell_angle_beta   81.538
_cell_angle_gamma   61.099
_symmetry_Int_Tables_number   1
_cell_volume   431.419
_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  0.601  0.650  0.120  1.0
  V  V1  1  0.131  0.108  0.624  1.0
  V  V2  1  0.234  0.286  0.254  1.0
  V  V3  1  0.746  0.727  0.757  1.0
  V  V4  1  0.872  0.877  0.374  1.0
  V  V5  1  0.391  0.374  0.874  1.0
  V  V6  1  0.013  0.001  0.002  1.0
  V  V7  1  0.492  0.519  0.504  1.0
  O  O8  1  0.392  0.790  0.560  1.0
  O  O9  1  0.382  0.795  0.048  1.0
  O  O10  1  0.134  0.560  0.307  1.0
  O  O11  1  0.602  0.579  0.828  1.0
  F  F12  1  0.832  0.846  0.090  1.0
  F  F13  1  0.911  0.330  0.061  1.0
  F  F14  1  0.347  0.943  0.192  1.0
  F  F15  1  0.629  0.054  0.287  1.0
  F  F16  1  0.353  0.313  0.584  1.0
  F  F17  1  0.146  0.527  0.786  1.0
  F  F18  1  0.417  0.411  0.162  1.0
  F  F19  1  0.907  0.908  0.669  1.0
  F  F20  1  0.111  0.698  0.460  1.0
  F  F21  1  0.848  0.441  0.683  1.0
  F  F22  1  0.090  0.084  0.336  1.0
  F  F23  1  0.888  0.285  0.536  1.0
  F  F24  1  0.626  0.215  0.963  1.0
  F  F25  1  0.652  0.671  0.412  1.0
  F  F26  1  0.861  0.458  0.207  1.0
  F  F27  1  0.372  0.959  0.711  1.0
  F  F28  1  0.679  0.045  0.815  1.0
  F  F29  1  0.103  0.689  0.938  1.0
  F  F30  1  0.592  0.202  0.438  1.0
  F  F31  1  0.179  0.161  0.913  1.0
[/CIF]
.