The compound 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(3), one F(10), one F(14), one F(15), one F(5), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-38°. In the second V site, V(2) is bonded to one O(1), one F(11), one F(2), one F(3), one F(4), and one F(5) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-37°. In the third V site, V(3) is bonded to one O(2), one F(13), one F(4), one F(6), one F(8), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. In the fourth V site, V(4) is bonded to one O(3), one F(10), one F(12), one F(13), one F(14), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-38°. In the fifth V site, V(5) is bonded to one O(2), one F(1), one F(15), one F(6), one F(8), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. In the sixth V site, V(6) is bonded to one O(1), one F(1), one F(11), one F(12), one F(2), and one F(3) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-37°. There are three 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(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(2) 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(6) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) 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. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. is represented by the CIF file [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.077
_cell_length_b   5.281
_cell_length_c   11.530
_cell_angle_alpha   99.843
_cell_angle_beta   102.369
_cell_angle_gamma   90.338
_symmetry_Int_Tables_number   1
_cell_volume   297.215
_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  0.175  0.172  0.336  1.0
  V  V1  1  0.322  0.314  0.671  1.0
  V  V2  1  0.519  0.477  0.004  1.0
  V  V3  1  0.653  0.644  0.336  1.0
  V  V4  1  0.995  0.004  0.002  1.0
  V  V5  1  0.843  0.838  0.668  1.0
  O  O6  1  0.145  0.062  0.693  1.0
  O  O7  1  0.715  0.227  0.026  1.0
  O  O8  1  0.476  0.393  0.359  1.0
  F  F9  1  0.812  0.915  0.833  1.0
  F  F10  1  0.621  0.118  0.630  1.0
  F  F11  1  0.512  0.610  0.633  1.0
  F  F12  1  0.529  0.429  0.833  1.0
  F  F13  1  0.141  0.264  0.499  1.0
  F  F14  1  0.824  0.719  0.039  1.0
  F  F15  1  0.950  0.449  0.294  1.0
  F  F16  1  0.289  0.776  0.967  1.0
  F  F17  1  0.178  0.284  0.962  1.0
  F  F18  1  0.846  0.944  0.303  1.0
  F  F19  1  0.048  0.554  0.705  1.0
  F  F20  1  0.861  0.745  0.501  1.0
  F  F21  1  0.473  0.594  0.166  1.0
  F  F22  1  0.382  0.887  0.373  1.0
  F  F23  1  0.189  0.081  0.167  1.0
[/CIF]
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The compound 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(3), one F(10), one F(14), one F(15), one F(5), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-38°. In the second V site, V(2) is bonded to one O(1), one F(11), one F(2), one F(3), one F(4), and one F(5) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-37°. In the third V site, V(3) is bonded to one O(2), one F(13), one F(4), one F(6), one F(8), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. In the fourth V site, V(4) is bonded to one O(3), one F(10), one F(12), one F(13), one F(14), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-38°. In the fifth V site, V(5) is bonded to one O(2), one F(1), one F(15), one F(6), one F(8), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 25-38°. In the sixth V site, V(6) is bonded to one O(1), one F(1), one F(11), one F(12), one F(2), and one F(3) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-37°. There are three 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(6) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. There are fifteen inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(2) 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(6) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) atom. In the ninth F site, F(9) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) 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. In the eleventh F site, F(11) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the twelfth F site, F(12) is bonded in a bent 150 degrees geometry to one V(4) and one V(6) atom. In the thirteenth F site, F(13) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. is represented by the CIF file [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.077
_cell_length_b   5.281
_cell_length_c   11.530
_cell_angle_alpha   99.843
_cell_angle_beta   102.369
_cell_angle_gamma   90.338
_symmetry_Int_Tables_number   1
_cell_volume   297.215
_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  0.175  0.172  0.336  1.0
  V  V1  1  0.322  0.314  0.671  1.0
  V  V2  1  0.519  0.477  0.004  1.0
  V  V3  1  0.653  0.644  0.336  1.0
  V  V4  1  0.995  0.004  0.002  1.0
  V  V5  1  0.843  0.838  0.668  1.0
  O  O6  1  0.145  0.062  0.693  1.0
  O  O7  1  0.715  0.227  0.026  1.0
  O  O8  1  0.476  0.393  0.359  1.0
  F  F9  1  0.812  0.915  0.833  1.0
  F  F10  1  0.621  0.118  0.630  1.0
  F  F11  1  0.512  0.610  0.633  1.0
  F  F12  1  0.529  0.429  0.833  1.0
  F  F13  1  0.141  0.264  0.499  1.0
  F  F14  1  0.824  0.719  0.039  1.0
  F  F15  1  0.950  0.449  0.294  1.0
  F  F16  1  0.289  0.776  0.967  1.0
  F  F17  1  0.178  0.284  0.962  1.0
  F  F18  1  0.846  0.944  0.303  1.0
  F  F19  1  0.048  0.554  0.705  1.0
  F  F20  1  0.861  0.745  0.501  1.0
  F  F21  1  0.473  0.594  0.166  1.0
  F  F22  1  0.382  0.887  0.373  1.0
  F  F23  1  0.189  0.081  0.167  1.0
[/CIF]
.