The material structure described by V2OF5 crystallizes in the monoclinic C2 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(1), one F(2), one F(3), and two equivalent F(5) atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-30°. In the second V site, V(2) is bonded to one O(1), one F(4), one F(8), one F(9), and two equivalent F(6) atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-34°. In the third V site, V(3) is bonded to one O(2), one F(1), one F(10), one F(11), one F(2), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-34°. In the fourth V site, V(4) is bonded to one O(1), one F(10), one F(11), one F(4), one F(7), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-34°. There are two 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(1) and one V(3) atom. There are eleven inequivalent F sites. In the first F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the second F site, F(8) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the third F site, F(9) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fourth F site, F(10) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the fifth F site, F(11) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the sixth F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the seventh F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the ninth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the tenth F site, F(5) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the eleventh F site, F(6) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. is represented by the CIF file [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.420
_cell_length_b   5.420
_cell_length_c   17.696
_cell_angle_alpha   79.062
_cell_angle_beta   79.062
_cell_angle_gamma   58.030
_symmetry_Int_Tables_number   1
_cell_volume   430.492
_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  0.616  0.761  0.935  1.0
  V  V1  1  0.132  0.248  0.436  1.0
  V  V2  1  0.239  0.384  0.065  1.0
  V  V3  1  0.752  0.868  0.564  1.0
  V  V4  1  0.886  0.963  0.186  1.0
  V  V5  1  0.409  0.502  0.684  1.0
  V  V6  1  0.037  0.114  0.814  1.0
  V  V7  1  0.498  0.591  0.316  1.0
  O  O8  1  0.401  0.361  0.371  1.0
  O  O9  1  0.358  0.938  0.852  1.0
  O  O10  1  0.062  0.642  0.148  1.0
  O  O11  1  0.639  0.599  0.629  1.0
  F  F12  1  0.825  0.374  0.897  1.0
  F  F13  1  0.907  0.848  0.873  1.0
  F  F14  1  0.331  0.669  0.000  1.0
  F  F15  1  0.626  0.175  0.103  1.0
  F  F16  1  0.348  0.858  0.398  1.0
  F  F17  1  0.142  0.652  0.602  1.0
  F  F18  1  0.415  0.141  0.977  1.0
  F  F19  1  0.908  0.635  0.474  1.0
  F  F20  1  0.114  0.842  0.274  1.0
  F  F21  1  0.152  0.093  0.127  1.0
  F  F22  1  0.843  0.157  0.500  1.0
  F  F23  1  0.890  0.405  0.347  1.0
  F  F24  1  0.595  0.110  0.653  1.0
  F  F25  1  0.630  0.334  0.774  1.0
  F  F26  1  0.666  0.370  0.226  1.0
  F  F27  1  0.859  0.585  0.023  1.0
  F  F28  1  0.365  0.092  0.526  1.0
  F  F29  1  0.107  0.409  0.747  1.0
  F  F30  1  0.591  0.893  0.253  1.0
  F  F31  1  0.158  0.886  0.726  1.0
[/CIF]
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The material structure described by V2OF5 crystallizes in the monoclinic C2 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one F(1), one F(2), one F(3), and two equivalent F(5) atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-30°. In the second V site, V(2) is bonded to one O(1), one F(4), one F(8), one F(9), and two equivalent F(6) atoms to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-34°. In the third V site, V(3) is bonded to one O(2), one F(1), one F(10), one F(11), one F(2), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-34°. In the fourth V site, V(4) is bonded to one O(1), one F(10), one F(11), one F(4), one F(7), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-34°. There are two 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(1) and one V(3) atom. There are eleven inequivalent F sites. In the first F site, F(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the second F site, F(8) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the third F site, F(9) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the fourth F site, F(10) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the fifth F site, F(11) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the sixth F site, F(1) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the seventh F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the eighth F site, F(3) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the ninth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) atom. In the tenth F site, F(5) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the eleventh F site, F(6) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. is represented by the CIF file [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.420
_cell_length_b   5.420
_cell_length_c   17.696
_cell_angle_alpha   79.062
_cell_angle_beta   79.062
_cell_angle_gamma   58.030
_symmetry_Int_Tables_number   1
_cell_volume   430.492
_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  0.616  0.761  0.935  1.0
  V  V1  1  0.132  0.248  0.436  1.0
  V  V2  1  0.239  0.384  0.065  1.0
  V  V3  1  0.752  0.868  0.564  1.0
  V  V4  1  0.886  0.963  0.186  1.0
  V  V5  1  0.409  0.502  0.684  1.0
  V  V6  1  0.037  0.114  0.814  1.0
  V  V7  1  0.498  0.591  0.316  1.0
  O  O8  1  0.401  0.361  0.371  1.0
  O  O9  1  0.358  0.938  0.852  1.0
  O  O10  1  0.062  0.642  0.148  1.0
  O  O11  1  0.639  0.599  0.629  1.0
  F  F12  1  0.825  0.374  0.897  1.0
  F  F13  1  0.907  0.848  0.873  1.0
  F  F14  1  0.331  0.669  0.000  1.0
  F  F15  1  0.626  0.175  0.103  1.0
  F  F16  1  0.348  0.858  0.398  1.0
  F  F17  1  0.142  0.652  0.602  1.0
  F  F18  1  0.415  0.141  0.977  1.0
  F  F19  1  0.908  0.635  0.474  1.0
  F  F20  1  0.114  0.842  0.274  1.0
  F  F21  1  0.152  0.093  0.127  1.0
  F  F22  1  0.843  0.157  0.500  1.0
  F  F23  1  0.890  0.405  0.347  1.0
  F  F24  1  0.595  0.110  0.653  1.0
  F  F25  1  0.630  0.334  0.774  1.0
  F  F26  1  0.666  0.370  0.226  1.0
  F  F27  1  0.859  0.585  0.023  1.0
  F  F28  1  0.365  0.092  0.526  1.0
  F  F29  1  0.107  0.409  0.747  1.0
  F  F30  1  0.591  0.893  0.253  1.0
  F  F31  1  0.158  0.886  0.726  1.0
[/CIF]
.