The compound described by V2(OF)3 crystallizes in the monoclinic P2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one F(2), one F(3), and one F(4) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 11-39°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(4), one F(1), one F(2), and one F(4) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-36°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees 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 two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees 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 two equivalent V(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent V(2) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF card [CIF]
data_V2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   5.417
_cell_length_c   7.374
_cell_angle_alpha   87.642
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.844
_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  0.527  0.534  0.269  1.0
  V  V1  1  0.527  0.466  0.731  1.0
  V  V2  1  0.017  0.045  0.233  1.0
  V  V3  1  0.017  0.955  0.767  1.0
  O  O4  1  0.199  0.292  0.212  1.0
  O  O5  1  0.199  0.708  0.788  1.0
  O  O6  1  0.413  0.500  0.500  1.0
  O  O7  1  0.779  0.289  0.710  1.0
  O  O8  1  0.779  0.711  0.290  1.0
  O  O9  1  0.935  0.000  0.000  1.0
  F  F10  1  0.073  0.000  0.500  1.0
  F  F11  1  0.284  0.205  0.791  1.0
  F  F12  1  0.284  0.795  0.209  1.0
  F  F13  1  0.562  0.500  0.000  1.0
  F  F14  1  0.703  0.214  0.292  1.0
  F  F15  1  0.703  0.786  0.708  1.0
[/CIF]
.
The compound described by V2(OF)3 crystallizes in the monoclinic P2 space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), one F(2), one F(3), and one F(4) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 11-39°. In the second V site, V(2) is bonded to one O(1), one O(3), one O(4), one F(1), one F(2), and one F(4) atom to form distorted corner-sharing VO3F3 octahedra. The corner-sharing octahedral tilt angles range from 17-36°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees 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 two equivalent V(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees 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 two equivalent V(2) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to two equivalent V(2) atoms. In the second F site, F(2) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. In the third F site, F(3) is bonded in a linear geometry to two equivalent V(1) atoms. In the fourth F site, F(4) is bonded in a bent 150 degrees geometry to one V(1) and one V(2) atom. is represented by the CIF card [CIF]
data_V2(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.283
_cell_length_b   5.417
_cell_length_c   7.374
_cell_angle_alpha   87.642
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.844
_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  0.527  0.534  0.269  1.0
  V  V1  1  0.527  0.466  0.731  1.0
  V  V2  1  0.017  0.045  0.233  1.0
  V  V3  1  0.017  0.955  0.767  1.0
  O  O4  1  0.199  0.292  0.212  1.0
  O  O5  1  0.199  0.708  0.788  1.0
  O  O6  1  0.413  0.500  0.500  1.0
  O  O7  1  0.779  0.289  0.710  1.0
  O  O8  1  0.779  0.711  0.290  1.0
  O  O9  1  0.935  0.000  0.000  1.0
  F  F10  1  0.073  0.000  0.500  1.0
  F  F11  1  0.284  0.205  0.791  1.0
  F  F12  1  0.284  0.795  0.209  1.0
  F  F13  1  0.562  0.500  0.000  1.0
  F  F14  1  0.703  0.214  0.292  1.0
  F  F15  1  0.703  0.786  0.708  1.0
[/CIF]
.