The material described by V2(OF)3 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(6), one F(2), one F(3), and one F(5) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 10-33°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), one F(1), one F(3), and one F(5) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 11-35°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(5), one F(1), one F(4), and one F(6) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 4-35°. In the fourth V site, V(4) is bonded to one O(2), one O(4), one O(6), one F(2), one F(4), and one F(6) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 4-26°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear 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 linear geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(1) and one V(4) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) 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 linear geometry to one V(3) and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   9.276
_cell_length_c   5.303
_cell_angle_alpha   105.652
_cell_angle_beta   119.017
_cell_angle_gamma   74.759
_symmetry_Int_Tables_number   1
_cell_volume   216.108
_cell_formula_units_Z   2
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  0.983  0.990  0.003  1.0
  V  V1  1  0.740  0.737  0.261  1.0
  V  V2  1  0.489  0.502  0.547  1.0
  V  V3  1  0.287  0.227  0.774  1.0
  O  O4  1  0.842  0.875  0.079  1.0
  O  O5  1  0.323  0.379  0.572  1.0
  O  O6  1  0.666  0.627  0.411  1.0
  O  O7  1  0.169  0.130  0.909  1.0
  O  O8  1  0.556  0.628  0.858  1.0
  O  O9  1  0.615  0.125  0.812  1.0
  F  F10  1  0.126  0.616  0.295  1.0
  F  F11  1  0.058  0.142  0.368  1.0
  F  F12  1  0.398  0.895  0.208  1.0
  F  F13  1  0.420  0.376  0.108  1.0
  F  F14  1  0.967  0.867  0.632  1.0
  F  F15  1  0.860  0.383  0.663  1.0
[/CIF]
.
The material described by V2(OF)3 crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(4), one O(6), one F(2), one F(3), and one F(5) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 10-33°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(5), one F(1), one F(3), and one F(5) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 11-35°. In the third V site, V(3) is bonded to one O(2), one O(3), one O(5), one F(1), one F(4), and one F(6) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 4-35°. In the fourth V site, V(4) is bonded to one O(2), one O(4), one O(6), one F(2), one F(4), and one F(6) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 4-26°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a linear 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 linear geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(1) and one V(4) atom. In the fifth O site, O(5) is bonded in a linear geometry to one V(2) and one V(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. There are six inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the third F site, F(3) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) 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 linear geometry to one V(3) and one V(4) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   9.276
_cell_length_c   5.303
_cell_angle_alpha   105.652
_cell_angle_beta   119.017
_cell_angle_gamma   74.759
_symmetry_Int_Tables_number   1
_cell_volume   216.108
_cell_formula_units_Z   2
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  0.983  0.990  0.003  1.0
  V  V1  1  0.740  0.737  0.261  1.0
  V  V2  1  0.489  0.502  0.547  1.0
  V  V3  1  0.287  0.227  0.774  1.0
  O  O4  1  0.842  0.875  0.079  1.0
  O  O5  1  0.323  0.379  0.572  1.0
  O  O6  1  0.666  0.627  0.411  1.0
  O  O7  1  0.169  0.130  0.909  1.0
  O  O8  1  0.556  0.628  0.858  1.0
  O  O9  1  0.615  0.125  0.812  1.0
  F  F10  1  0.126  0.616  0.295  1.0
  F  F11  1  0.058  0.142  0.368  1.0
  F  F12  1  0.398  0.895  0.208  1.0
  F  F13  1  0.420  0.376  0.108  1.0
  F  F14  1  0.967  0.867  0.632  1.0
  F  F15  1  0.860  0.383  0.663  1.0
[/CIF]
.