The material structure described by VOF3 is Cubic alpha N2-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four VOF3 clusters. V(1) is bonded in a distorted tetrahedral geometry to one O(1), one F(1), one F(2), and one F(3) atom. O(1) is bonded in a distorted single-bond geometry to one V(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one V(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one V(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one V(1) atom. is represented by the CIF file [CIF]
data_VOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.901
_cell_length_b   5.298
_cell_length_c   9.093
_cell_angle_alpha   69.993
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.669
_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  0.676  0.864  0.548  1.0
  V  V1  1  0.824  0.864  0.048  1.0
  V  V2  1  0.176  0.136  0.952  1.0
  V  V3  1  0.324  0.136  0.452  1.0
  O  O4  1  0.940  0.931  0.889  1.0
  O  O5  1  0.560  0.931  0.389  1.0
  O  O6  1  0.440  0.069  0.611  1.0
  O  O7  1  0.060  0.069  0.111  1.0
  F  F8  1  0.270  0.851  0.929  1.0
  F  F9  1  0.230  0.851  0.429  1.0
  F  F10  1  0.857  0.712  0.506  1.0
  F  F11  1  0.595  0.592  0.704  1.0
  F  F12  1  0.095  0.408  0.796  1.0
  F  F13  1  0.357  0.288  0.994  1.0
  F  F14  1  0.643  0.712  0.006  1.0
  F  F15  1  0.905  0.592  0.204  1.0
  F  F16  1  0.405  0.408  0.296  1.0
  F  F17  1  0.143  0.288  0.494  1.0
  F  F18  1  0.770  0.149  0.571  1.0
  F  F19  1  0.730  0.149  0.071  1.0
[/CIF]
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The material structure described by VOF3 is Cubic alpha N2-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four VOF3 clusters. V(1) is bonded in a distorted tetrahedral geometry to one O(1), one F(1), one F(2), and one F(3) atom. O(1) is bonded in a distorted single-bond geometry to one V(1) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one V(1) atom. In the second F site, F(2) is bonded in a single-bond geometry to one V(1) atom. In the third F site, F(3) is bonded in a single-bond geometry to one V(1) atom. is represented by the CIF file [CIF]
data_VOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.901
_cell_length_b   5.298
_cell_length_c   9.093
_cell_angle_alpha   69.993
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   357.669
_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  0.676  0.864  0.548  1.0
  V  V1  1  0.824  0.864  0.048  1.0
  V  V2  1  0.176  0.136  0.952  1.0
  V  V3  1  0.324  0.136  0.452  1.0
  O  O4  1  0.940  0.931  0.889  1.0
  O  O5  1  0.560  0.931  0.389  1.0
  O  O6  1  0.440  0.069  0.611  1.0
  O  O7  1  0.060  0.069  0.111  1.0
  F  F8  1  0.270  0.851  0.929  1.0
  F  F9  1  0.230  0.851  0.429  1.0
  F  F10  1  0.857  0.712  0.506  1.0
  F  F11  1  0.595  0.592  0.704  1.0
  F  F12  1  0.095  0.408  0.796  1.0
  F  F13  1  0.357  0.288  0.994  1.0
  F  F14  1  0.643  0.712  0.006  1.0
  F  F15  1  0.905  0.592  0.204  1.0
  F  F16  1  0.405  0.408  0.296  1.0
  F  F17  1  0.143  0.288  0.494  1.0
  F  F18  1  0.770  0.149  0.571  1.0
  F  F19  1  0.730  0.149  0.071  1.0
[/CIF]
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