The material 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(6), one O(8), one F(2), one F(7), and one F(9) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 10-40°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(9), one F(4), one F(6), and one F(8) atom to form corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 14-40°. In the third V site, V(3) is bonded to one O(1), one O(4), one O(7), one F(1), one F(4), and one F(8) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-40°. In the fourth V site, V(4) is bonded to one O(1), one O(6), one O(7), one F(1), one F(2), and one F(9) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-39°. In the fifth V site, V(5) is bonded to one O(2), one O(5), one O(8), one F(3), one F(5), and one F(7) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-40°. In the sixth V site, V(6) is bonded to one O(3), one O(5), one O(9), one F(3), one F(5), and one F(6) atom to form corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-30°. 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 distorted 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(6) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(2) and one V(3) 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(1) and one V(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(1) and one V(5) 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(1) and one V(4) atom. In the third F site, F(3) is bonded in a linear geometry to one V(5) 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(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(6) 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 card [CIF]
data_V2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.110
_cell_length_b   5.138
_cell_length_c   12.914
_cell_angle_alpha   89.596
_cell_angle_beta   89.727
_cell_angle_gamma   60.102
_symmetry_Int_Tables_number   1
_cell_volume   293.961
_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  0.958  0.016  0.509  1.0
  V  V1  1  0.020  0.973  0.993  1.0
  V  V2  1  0.384  0.266  0.168  1.0
  V  V3  1  0.687  0.606  0.332  1.0
  V  V4  1  0.274  0.376  0.668  1.0
  V  V5  1  0.667  0.691  0.842  1.0
  O  O6  1  0.570  0.424  0.255  1.0
  O  O7  1  0.668  0.237  0.581  1.0
  O  O8  1  0.901  0.766  0.918  1.0
  O  O9  1  0.678  0.088  0.089  1.0
  O  O10  1  0.997  0.435  0.750  1.0
  O  O11  1  0.914  0.338  0.414  1.0
  O  O12  1  0.419  0.003  0.249  1.0
  O  O13  1  0.090  0.665  0.581  1.0
  O  O14  1  0.332  0.905  0.917  1.0
  F  F15  1  0.990  0.585  0.245  1.0
  F  F16  1  0.764  0.913  0.407  1.0
  F  F17  1  0.418  0.589  0.746  1.0
  F  F18  1  0.256  0.668  0.088  1.0
  F  F19  1  0.577  0.015  0.748  1.0
  F  F20  1  0.744  0.333  0.916  1.0
  F  F21  1  0.253  0.080  0.585  1.0
  F  F22  1  0.087  0.262  0.080  1.0
  F  F23  1  0.349  0.763  0.418  1.0
[/CIF]
.
The material 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(6), one O(8), one F(2), one F(7), and one F(9) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 10-40°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(9), one F(4), one F(6), and one F(8) atom to form corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 14-40°. In the third V site, V(3) is bonded to one O(1), one O(4), one O(7), one F(1), one F(4), and one F(8) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-40°. In the fourth V site, V(4) is bonded to one O(1), one O(6), one O(7), one F(1), one F(2), and one F(9) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 8-39°. In the fifth V site, V(5) is bonded to one O(2), one O(5), one O(8), one F(3), one F(5), and one F(7) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-40°. In the sixth V site, V(6) is bonded to one O(3), one O(5), one O(9), one F(3), one F(5), and one F(6) atom to form corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-30°. 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 distorted 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(6) atom. In the fourth O site, O(4) is bonded in a linear geometry to one V(2) and one V(3) 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(1) and one V(4) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one V(3) and one V(4) atom. In the eighth O site, O(8) is bonded in a linear geometry to one V(1) and one V(5) 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(1) and one V(4) atom. In the third F site, F(3) is bonded in a linear geometry to one V(5) 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(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(6) 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 card [CIF]
data_V2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.110
_cell_length_b   5.138
_cell_length_c   12.914
_cell_angle_alpha   89.596
_cell_angle_beta   89.727
_cell_angle_gamma   60.102
_symmetry_Int_Tables_number   1
_cell_volume   293.961
_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  0.958  0.016  0.509  1.0
  V  V1  1  0.020  0.973  0.993  1.0
  V  V2  1  0.384  0.266  0.168  1.0
  V  V3  1  0.687  0.606  0.332  1.0
  V  V4  1  0.274  0.376  0.668  1.0
  V  V5  1  0.667  0.691  0.842  1.0
  O  O6  1  0.570  0.424  0.255  1.0
  O  O7  1  0.668  0.237  0.581  1.0
  O  O8  1  0.901  0.766  0.918  1.0
  O  O9  1  0.678  0.088  0.089  1.0
  O  O10  1  0.997  0.435  0.750  1.0
  O  O11  1  0.914  0.338  0.414  1.0
  O  O12  1  0.419  0.003  0.249  1.0
  O  O13  1  0.090  0.665  0.581  1.0
  O  O14  1  0.332  0.905  0.917  1.0
  F  F15  1  0.990  0.585  0.245  1.0
  F  F16  1  0.764  0.913  0.407  1.0
  F  F17  1  0.418  0.589  0.746  1.0
  F  F18  1  0.256  0.668  0.088  1.0
  F  F19  1  0.577  0.015  0.748  1.0
  F  F20  1  0.744  0.333  0.916  1.0
  F  F21  1  0.253  0.080  0.585  1.0
  F  F22  1  0.087  0.262  0.080  1.0
  F  F23  1  0.349  0.763  0.418  1.0
[/CIF]
.