The compound described by VOF crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one F(2), and one F(3) atom. In the second V site, V(2) is bonded in a 2-coordinate geometry to one O(1), one F(1), and one F(4) atom. In the third V site, V(3) is bonded in a 2-coordinate geometry to one O(3), one F(1), and one F(4) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one F(2), and one F(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one V(2) and one V(4) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one V(4) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one V(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a linear 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(1) and one V(4) atom. In the fourth F site, F(4) is bonded in a linear geometry to one V(2) and one V(3) atom. is represented by the CIF card [CIF]
data_VOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.216
_cell_length_b   5.239
_cell_length_c   5.917
_cell_angle_alpha   111.852
_cell_angle_beta   111.593
_cell_angle_gamma   99.245
_symmetry_Int_Tables_number   1
_cell_volume   130.971
_cell_formula_units_Z   4
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  0.178  0.330  0.749  1.0
  V  V1  1  0.422  0.073  0.252  1.0
  V  V2  1  0.572  0.920  0.751  1.0
  V  V3  1  0.822  0.671  0.252  1.0
  O  O4  1  0.775  0.525  0.482  1.0
  O  O5  1  0.961  0.710  0.025  1.0
  O  O6  1  0.031  0.279  0.980  1.0
  O  O7  1  0.215  0.465  0.522  1.0
  F  F8  1  0.490  0.995  0.504  1.0
  F  F9  1  0.994  0.996  0.501  1.0
  F  F10  1  0.490  0.493  0.005  1.0
  F  F11  1  0.499  0.997  0.002  1.0
[/CIF]
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The compound described by VOF crystallizes in the triclinic P1 space group. There are four inequivalent V sites. In the first V site, V(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one F(2), and one F(3) atom. In the second V site, V(2) is bonded in a 2-coordinate geometry to one O(1), one F(1), and one F(4) atom. In the third V site, V(3) is bonded in a 2-coordinate geometry to one O(3), one F(1), and one F(4) atom. In the fourth V site, V(4) is bonded in a 4-coordinate geometry to one O(1), one O(2), one F(2), and one F(3) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one V(2) and one V(4) atom. In the second O site, O(2) is bonded in a 1-coordinate geometry to one V(4) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one V(1) and one V(3) atom. In the fourth O site, O(4) is bonded in a 1-coordinate geometry to one V(1) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a linear geometry to one V(2) and one V(3) atom. In the second F site, F(2) is bonded in a linear 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(1) and one V(4) atom. In the fourth F site, F(4) is bonded in a linear geometry to one V(2) and one V(3) atom. is represented by the CIF card [CIF]
data_VOF
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.216
_cell_length_b   5.239
_cell_length_c   5.917
_cell_angle_alpha   111.852
_cell_angle_beta   111.593
_cell_angle_gamma   99.245
_symmetry_Int_Tables_number   1
_cell_volume   130.971
_cell_formula_units_Z   4
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  0.178  0.330  0.749  1.0
  V  V1  1  0.422  0.073  0.252  1.0
  V  V2  1  0.572  0.920  0.751  1.0
  V  V3  1  0.822  0.671  0.252  1.0
  O  O4  1  0.775  0.525  0.482  1.0
  O  O5  1  0.961  0.710  0.025  1.0
  O  O6  1  0.031  0.279  0.980  1.0
  O  O7  1  0.215  0.465  0.522  1.0
  F  F8  1  0.490  0.995  0.504  1.0
  F  F9  1  0.994  0.996  0.501  1.0
  F  F10  1  0.490  0.493  0.005  1.0
  F  F11  1  0.499  0.997  0.002  1.0
[/CIF]
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