The compound 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(16), one F(2), one F(4), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 26-37°. In the second V site, V(2) is bonded to one O(1), one F(10), one F(12), one F(17), one F(3), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-39°. In the third V site, V(3) is bonded to one O(3), one F(11), one F(16), one F(4), one F(5), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 25-36°. In the fourth V site, V(4) is bonded to one O(4), one F(10), one F(13), 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 25-39°. In the fifth V site, V(5) is bonded to one O(3), one F(11), one F(15), 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 25-36°. In the sixth V site, V(6) is bonded to one O(4), one F(13), one F(14), 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 25-38°. In the seventh V site, V(7) is bonded to one O(2), one F(1), one F(14), 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 26-38°. In the eighth V site, V(8) is bonded to one O(1), one F(12), one F(15), one F(19), one F(3), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-36°. 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(2) and one V(8) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) 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(4) and one V(6) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) 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 Crystallographic Information File (CIF) [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.099
_cell_length_b   5.301
_cell_length_c   16.901
_cell_angle_alpha   83.355
_cell_angle_beta   81.388
_cell_angle_gamma   61.466
_symmetry_Int_Tables_number   1
_cell_volume   396.269
_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  0.602  0.639  0.117  1.0
  V  V1  1  0.142  0.143  0.625  1.0
  V  V2  1  0.238  0.263  0.251  1.0
  V  V3  1  0.757  0.775  0.754  1.0
  V  V4  1  0.894  0.849  0.370  1.0
  V  V5  1  0.397  0.361  0.873  1.0
  V  V6  1  0.015  0.989  0.000  1.0
  V  V7  1  0.494  0.488  0.503  1.0
  O  O8  1  0.330  0.324  0.585  1.0
  O  O9  1  0.384  0.787  0.042  1.0
  O  O10  1  0.129  0.577  0.312  1.0
  O  O11  1  0.663  0.050  0.812  1.0
  F  F12  1  0.842  0.838  0.089  1.0
  F  F13  1  0.925  0.313  0.060  1.0
  F  F14  1  0.412  0.803  0.564  1.0
  F  F15  1  0.335  0.918  0.193  1.0
  F  F16  1  0.626  0.053  0.287  1.0
  F  F17  1  0.161  0.528  0.784  1.0
  F  F18  1  0.417  0.393  0.159  1.0
  F  F19  1  0.915  0.916  0.660  1.0
  F  F20  1  0.104  0.710  0.465  1.0
  F  F21  1  0.836  0.440  0.693  1.0
  F  F22  1  0.081  0.098  0.340  1.0
  F  F23  1  0.885  0.286  0.537  1.0
  F  F24  1  0.603  0.579  0.841  1.0
  F  F25  1  0.602  0.216  0.966  1.0
  F  F26  1  0.641  0.677  0.412  1.0
  F  F27  1  0.860  0.454  0.208  1.0
  F  F28  1  0.361  0.950  0.716  1.0
  F  F29  1  0.079  0.693  0.935  1.0
  F  F30  1  0.591  0.186  0.435  1.0
  F  F31  1  0.160  0.165  0.911  1.0
[/CIF]
.
The compound 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(16), one F(2), one F(4), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 26-37°. In the second V site, V(2) is bonded to one O(1), one F(10), one F(12), one F(17), one F(3), and one F(8) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-39°. In the third V site, V(3) is bonded to one O(3), one F(11), one F(16), one F(4), one F(5), and one F(7) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 25-36°. In the fourth V site, V(4) is bonded to one O(4), one F(10), one F(13), 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 25-39°. In the fifth V site, V(5) is bonded to one O(3), one F(11), one F(15), 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 25-36°. In the sixth V site, V(6) is bonded to one O(4), one F(13), one F(14), 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 25-38°. In the seventh V site, V(7) is bonded to one O(2), one F(1), one F(14), 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 26-38°. In the eighth V site, V(8) is bonded to one O(1), one F(12), one F(15), one F(19), one F(3), and one F(9) atom to form corner-sharing VOF5 octahedra. The corner-sharing octahedral tilt angles range from 24-36°. 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(2) and one V(8) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(3) and one V(5) 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(4) and one V(6) atom. In the fourteenth F site, F(14) is bonded in a bent 150 degrees geometry to one V(6) and one V(7) atom. In the fifteenth F site, F(15) is bonded in a bent 150 degrees geometry to one V(5) and one V(8) atom. In the sixteenth F site, F(16) is bonded in a bent 150 degrees geometry to one V(1) and one V(3) atom. In the seventeenth F site, F(17) is bonded in a bent 150 degrees geometry to one V(2) and one V(4) 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 Crystallographic Information File (CIF) [CIF]
data_V2OF5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.099
_cell_length_b   5.301
_cell_length_c   16.901
_cell_angle_alpha   83.355
_cell_angle_beta   81.388
_cell_angle_gamma   61.466
_symmetry_Int_Tables_number   1
_cell_volume   396.269
_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  0.602  0.639  0.117  1.0
  V  V1  1  0.142  0.143  0.625  1.0
  V  V2  1  0.238  0.263  0.251  1.0
  V  V3  1  0.757  0.775  0.754  1.0
  V  V4  1  0.894  0.849  0.370  1.0
  V  V5  1  0.397  0.361  0.873  1.0
  V  V6  1  0.015  0.989  0.000  1.0
  V  V7  1  0.494  0.488  0.503  1.0
  O  O8  1  0.330  0.324  0.585  1.0
  O  O9  1  0.384  0.787  0.042  1.0
  O  O10  1  0.129  0.577  0.312  1.0
  O  O11  1  0.663  0.050  0.812  1.0
  F  F12  1  0.842  0.838  0.089  1.0
  F  F13  1  0.925  0.313  0.060  1.0
  F  F14  1  0.412  0.803  0.564  1.0
  F  F15  1  0.335  0.918  0.193  1.0
  F  F16  1  0.626  0.053  0.287  1.0
  F  F17  1  0.161  0.528  0.784  1.0
  F  F18  1  0.417  0.393  0.159  1.0
  F  F19  1  0.915  0.916  0.660  1.0
  F  F20  1  0.104  0.710  0.465  1.0
  F  F21  1  0.836  0.440  0.693  1.0
  F  F22  1  0.081  0.098  0.340  1.0
  F  F23  1  0.885  0.286  0.537  1.0
  F  F24  1  0.603  0.579  0.841  1.0
  F  F25  1  0.602  0.216  0.966  1.0
  F  F26  1  0.641  0.677  0.412  1.0
  F  F27  1  0.860  0.454  0.208  1.0
  F  F28  1  0.361  0.950  0.716  1.0
  F  F29  1  0.079  0.693  0.935  1.0
  F  F30  1  0.591  0.186  0.435  1.0
  F  F31  1  0.160  0.165  0.911  1.0
[/CIF]
.