The material structure described by V2(OF)3 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(2), one O(4), one O(7), one F(3), one F(7), and one F(9) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 9-33°. In the second V site, V(2) is bonded to one O(3), one O(8), one O(9), one F(2), one F(6), and one F(8) atom to form corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 19-41°. In the third V site, V(3) is bonded to one O(1), one O(3), one O(6), one F(1), one F(6), and one F(8) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 11-41°. In the fourth V site, V(4) is bonded to one O(1), one O(4), one O(6), one F(1), one F(3), and one F(9) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 9-41°. In the fifth V site, V(5) is bonded to one O(2), one O(5), one O(7), one F(4), one F(5), and one F(7) atom to form corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. In the sixth V site, V(6) is bonded to one O(5), one O(8), one O(9), one F(2), one F(4), and one F(5) atom to form corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 19-41°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(3) 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(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) 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(1) and one V(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the ninth F site, F(9) is bonded in a linear geometry to one V(1) and one V(4) atom. is represented by the CIF file [CIF]
data_V2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   5.136
_cell_length_c   12.955
_cell_angle_alpha   89.331
_cell_angle_beta   89.615
_cell_angle_gamma   60.289
_symmetry_Int_Tables_number   1
_cell_volume   293.918
_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  0.973  0.038  0.487  1.0
  V  V1  1  0.976  0.000  0.003  1.0
  V  V2  1  0.372  0.342  0.831  1.0
  V  V3  1  0.686  0.704  0.669  1.0
  V  V4  1  0.359  0.334  0.328  1.0
  V  V5  1  0.641  0.673  0.157  1.0
  O  O6  1  0.575  0.992  0.750  1.0
  O  O7  1  0.662  0.094  0.421  1.0
  O  O8  1  0.663  0.242  0.915  1.0
  O  O9  1  0.910  0.749  0.587  1.0
  O  O10  1  0.567  0.423  0.250  1.0
  O  O11  1  0.418  0.562  0.749  1.0
  O  O12  1  0.083  0.240  0.420  1.0
  O  O13  1  0.783  0.905  0.086  1.0
  O  O14  1  0.358  0.752  0.078  1.0
  F  F15  1  0.989  0.411  0.753  1.0
  F  F16  1  0.944  0.330  0.084  1.0
  F  F17  1  0.761  0.319  0.590  1.0
  F  F18  1  0.399  0.000  0.251  1.0
  F  F19  1  0.982  0.588  0.256  1.0
  F  F20  1  0.239  0.080  0.914  1.0
  F  F21  1  0.248  0.668  0.422  1.0
  F  F22  1  0.071  0.657  0.914  1.0
  F  F23  1  0.340  0.895  0.585  1.0
[/CIF]
.
The material structure described by V2(OF)3 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(2), one O(4), one O(7), one F(3), one F(7), and one F(9) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 9-33°. In the second V site, V(2) is bonded to one O(3), one O(8), one O(9), one F(2), one F(6), and one F(8) atom to form corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 19-41°. In the third V site, V(3) is bonded to one O(1), one O(3), one O(6), one F(1), one F(6), and one F(8) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 11-41°. In the fourth V site, V(4) is bonded to one O(1), one O(4), one O(6), one F(1), one F(3), and one F(9) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 9-41°. In the fifth V site, V(5) is bonded to one O(2), one O(5), one O(7), one F(4), one F(5), and one F(7) atom to form corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 22-33°. In the sixth V site, V(6) is bonded to one O(5), one O(8), one O(9), one F(2), one F(4), and one F(5) atom to form corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 19-41°. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one V(3) 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(5) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(4) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one V(2) and one V(6) atom. There are nine inequivalent F sites. In the first F site, F(1) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) 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(1) and one V(4) atom. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the fifth F site, F(5) is bonded in a bent 150 degrees geometry to one V(5) and one V(6) atom. In the sixth F site, F(6) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the seventh F site, F(7) is bonded in a bent 150 degrees geometry to one V(1) and one V(5) atom. In the eighth F site, F(8) is bonded in a bent 150 degrees geometry to one V(2) and one V(3) atom. In the ninth F site, F(9) is bonded in a linear geometry to one V(1) and one V(4) atom. is represented by the CIF file [CIF]
data_V2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.087
_cell_length_b   5.136
_cell_length_c   12.955
_cell_angle_alpha   89.331
_cell_angle_beta   89.615
_cell_angle_gamma   60.289
_symmetry_Int_Tables_number   1
_cell_volume   293.918
_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  0.973  0.038  0.487  1.0
  V  V1  1  0.976  0.000  0.003  1.0
  V  V2  1  0.372  0.342  0.831  1.0
  V  V3  1  0.686  0.704  0.669  1.0
  V  V4  1  0.359  0.334  0.328  1.0
  V  V5  1  0.641  0.673  0.157  1.0
  O  O6  1  0.575  0.992  0.750  1.0
  O  O7  1  0.662  0.094  0.421  1.0
  O  O8  1  0.663  0.242  0.915  1.0
  O  O9  1  0.910  0.749  0.587  1.0
  O  O10  1  0.567  0.423  0.250  1.0
  O  O11  1  0.418  0.562  0.749  1.0
  O  O12  1  0.083  0.240  0.420  1.0
  O  O13  1  0.783  0.905  0.086  1.0
  O  O14  1  0.358  0.752  0.078  1.0
  F  F15  1  0.989  0.411  0.753  1.0
  F  F16  1  0.944  0.330  0.084  1.0
  F  F17  1  0.761  0.319  0.590  1.0
  F  F18  1  0.399  0.000  0.251  1.0
  F  F19  1  0.982  0.588  0.256  1.0
  F  F20  1  0.239  0.080  0.914  1.0
  F  F21  1  0.248  0.668  0.422  1.0
  F  F22  1  0.071  0.657  0.914  1.0
  F  F23  1  0.340  0.895  0.585  1.0
[/CIF]
.