The compound described by V2(OF)3 crystallizes in the monoclinic C2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one F(1), and two equivalent F(2) atoms to form corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-34°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one F(1), and two equivalent F(3) atoms to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-37°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the third O site, O(3) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are three 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(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent V(2) atoms. is represented by the CIF file [CIF]
data_V2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   5.154
_cell_length_c   9.080
_cell_angle_alpha   77.485
_cell_angle_beta   77.485
_cell_angle_gamma   62.376
_symmetry_Int_Tables_number   1
_cell_volume   206.706
_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  0.999  0.250  0.627  1.0
  V  V1  1  0.750  0.001  0.373  1.0
  V  V2  1  0.451  0.757  0.137  1.0
  V  V3  1  0.243  0.549  0.863  1.0
  O  O4  1  0.945  0.055  0.500  1.0
  O  O5  1  0.455  0.545  0.000  1.0
  O  O6  1  0.572  0.936  0.245  1.0
  O  O7  1  0.064  0.428  0.755  1.0
  O  O8  1  0.136  0.793  0.247  1.0
  O  O9  1  0.207  0.864  0.753  1.0
  F  F10  1  0.713  0.383  0.244  1.0
  F  F11  1  0.617  0.287  0.756  1.0
  F  F12  1  0.778  0.631  0.504  1.0
  F  F13  1  0.896  0.694  0.996  1.0
  F  F14  1  0.369  0.222  0.496  1.0
  F  F15  1  0.306  0.104  0.004  1.0
[/CIF]
.
The compound described by V2(OF)3 crystallizes in the monoclinic C2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(3), one O(4), one F(1), and two equivalent F(2) atoms to form corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-34°. In the second V site, V(2) is bonded to one O(2), one O(3), one O(4), one F(1), and two equivalent F(3) atoms to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-37°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the second O site, O(2) is bonded in a bent 150 degrees geometry to two equivalent V(2) atoms. In the third O site, O(3) is bonded in a linear geometry to one V(1) and one V(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. There are three 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(2) atom. In the second F site, F(2) is bonded in a bent 150 degrees geometry to two equivalent V(1) atoms. In the third F site, F(3) is bonded in a distorted bent 150 degrees geometry to two equivalent V(2) atoms. is represented by the CIF file [CIF]
data_V2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.154
_cell_length_b   5.154
_cell_length_c   9.080
_cell_angle_alpha   77.485
_cell_angle_beta   77.485
_cell_angle_gamma   62.376
_symmetry_Int_Tables_number   1
_cell_volume   206.706
_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  0.999  0.250  0.627  1.0
  V  V1  1  0.750  0.001  0.373  1.0
  V  V2  1  0.451  0.757  0.137  1.0
  V  V3  1  0.243  0.549  0.863  1.0
  O  O4  1  0.945  0.055  0.500  1.0
  O  O5  1  0.455  0.545  0.000  1.0
  O  O6  1  0.572  0.936  0.245  1.0
  O  O7  1  0.064  0.428  0.755  1.0
  O  O8  1  0.136  0.793  0.247  1.0
  O  O9  1  0.207  0.864  0.753  1.0
  F  F10  1  0.713  0.383  0.244  1.0
  F  F11  1  0.617  0.287  0.756  1.0
  F  F12  1  0.778  0.631  0.504  1.0
  F  F13  1  0.896  0.694  0.996  1.0
  F  F14  1  0.369  0.222  0.496  1.0
  F  F15  1  0.306  0.104  0.004  1.0
[/CIF]
.