The structure described by VOF2 crystallizes in the trigonal P3_1 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 F(1), one F(2), one F(3), and one F(4) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-43°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-43°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 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 one V(1) and one V(2) atom. There are four 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 one V(1) and one V(2) 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(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   5.059
_cell_length_c   13.132
_cell_angle_alpha   89.999
_cell_angle_beta   89.994
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   291.080
_cell_formula_units_Z   6
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  0.024  0.643  0.494  1.0
  V  V1  1  0.978  0.678  0.993  1.0
  V  V2  1  0.357  0.381  0.827  1.0
  V  V3  1  0.701  0.022  0.660  1.0
  V  V4  1  0.322  0.299  0.326  1.0
  V  V5  1  0.619  0.976  0.161  1.0
  O  O6  1  0.679  0.603  0.918  1.0
  O  O7  1  0.397  0.076  0.251  1.0
  O  O8  1  0.924  0.321  0.585  1.0
  O  O9  1  0.415  0.660  0.750  1.0
  O  O10  1  0.245  0.585  0.417  1.0
  O  O11  1  0.340  0.755  0.084  1.0
  F  F12  1  0.016  0.057  0.752  1.0
  F  F13  1  0.617  0.261  0.757  1.0
  F  F14  1  0.644  0.383  0.424  1.0
  F  F15  1  0.943  0.959  0.085  1.0
  F  F16  1  0.737  0.722  0.584  1.0
  F  F17  1  0.985  0.263  0.251  1.0
  F  F18  1  0.278  0.015  0.917  1.0
  F  F19  1  0.602  0.672  0.252  1.0
  F  F20  1  0.041  0.984  0.418  1.0
  F  F21  1  0.739  0.357  0.090  1.0
  F  F22  1  0.070  0.398  0.919  1.0
  F  F23  1  0.328  0.930  0.586  1.0
[/CIF]
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The structure described by VOF2 crystallizes in the trigonal P3_1 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 F(1), one F(2), one F(3), and one F(4) atom to form distorted corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-43°. In the second V site, V(2) is bonded to one O(1), one O(2), one F(1), one F(2), one F(3), and one F(4) atom to form corner-sharing VO2F4 octahedra. The corner-sharing octahedral tilt angles range from 23-43°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 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 one V(1) and one V(2) atom. There are four 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 one V(1) and one V(2) 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(1) and one V(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VOF2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   5.059
_cell_length_c   13.132
_cell_angle_alpha   89.999
_cell_angle_beta   89.994
_cell_angle_gamma   120.001
_symmetry_Int_Tables_number   1
_cell_volume   291.080
_cell_formula_units_Z   6
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  0.024  0.643  0.494  1.0
  V  V1  1  0.978  0.678  0.993  1.0
  V  V2  1  0.357  0.381  0.827  1.0
  V  V3  1  0.701  0.022  0.660  1.0
  V  V4  1  0.322  0.299  0.326  1.0
  V  V5  1  0.619  0.976  0.161  1.0
  O  O6  1  0.679  0.603  0.918  1.0
  O  O7  1  0.397  0.076  0.251  1.0
  O  O8  1  0.924  0.321  0.585  1.0
  O  O9  1  0.415  0.660  0.750  1.0
  O  O10  1  0.245  0.585  0.417  1.0
  O  O11  1  0.340  0.755  0.084  1.0
  F  F12  1  0.016  0.057  0.752  1.0
  F  F13  1  0.617  0.261  0.757  1.0
  F  F14  1  0.644  0.383  0.424  1.0
  F  F15  1  0.943  0.959  0.085  1.0
  F  F16  1  0.737  0.722  0.584  1.0
  F  F17  1  0.985  0.263  0.251  1.0
  F  F18  1  0.278  0.015  0.917  1.0
  F  F19  1  0.602  0.672  0.252  1.0
  F  F20  1  0.041  0.984  0.418  1.0
  F  F21  1  0.739  0.357  0.090  1.0
  F  F22  1  0.070  0.398  0.919  1.0
  F  F23  1  0.328  0.930  0.586  1.0
[/CIF]
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