The compound described by VOF3 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of four VOF3 clusters. In two of the VOF3 clusters, V(1) is bonded in a tetrahedral geometry to one O(2), one F(2), one F(3), and one F(6) atom. O(2) is bonded in a single-bond geometry to one V(1) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one V(1) atom. In the second F site, F(3) is bonded in a single-bond geometry to one V(1) atom. In the third F site, F(6) is bonded in a single-bond geometry to one V(1) atom. In two of the VOF3 clusters, V(2) is bonded in a tetrahedral geometry to one O(1), one F(1), one F(4), and one F(5) atom. O(1) is bonded in a single-bond geometry to one V(2) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one V(2) atom. In the second F site, F(4) is bonded in a single-bond geometry to one V(2) atom. In the third F site, F(5) is bonded in a single-bond geometry to one V(2) atom. is represented by the CIF file [CIF]
data_VOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.382
_cell_length_b   6.419
_cell_length_c   10.783
_cell_angle_alpha   67.336
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   407.650
_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  0.506  0.909  0.998  1.0
  V  V1  1  0.977  0.400  0.000  1.0
  V  V2  1  0.494  0.909  0.498  1.0
  V  V3  1  0.023  0.400  0.500  1.0
  O  O4  1  0.092  0.430  0.124  1.0
  O  O5  1  0.381  0.748  0.941  1.0
  O  O6  1  0.619  0.748  0.441  1.0
  O  O7  1  0.908  0.430  0.624  1.0
  F  F8  1  0.067  0.663  0.370  1.0
  F  F9  1  0.743  0.771  0.065  1.0
  F  F10  1  0.560  0.159  0.859  1.0
  F  F11  1  0.260  0.256  0.563  1.0
  F  F12  1  0.863  0.237  0.439  1.0
  F  F13  1  0.440  0.159  0.359  1.0
  F  F14  1  0.740  0.256  0.063  1.0
  F  F15  1  0.637  0.925  0.634  1.0
  F  F16  1  0.933  0.663  0.870  1.0
  F  F17  1  0.257  0.771  0.565  1.0
  F  F18  1  0.363  0.925  0.134  1.0
  F  F19  1  0.137  0.237  0.939  1.0
[/CIF]
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The compound described by VOF3 is Silicon tetrafluoride-derived structured and crystallizes in the monoclinic Pc space group. The structure is zero-dimensional and consists of four VOF3 clusters. In two of the VOF3 clusters, V(1) is bonded in a tetrahedral geometry to one O(2), one F(2), one F(3), and one F(6) atom. O(2) is bonded in a single-bond geometry to one V(1) atom. There are three inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one V(1) atom. In the second F site, F(3) is bonded in a single-bond geometry to one V(1) atom. In the third F site, F(6) is bonded in a single-bond geometry to one V(1) atom. In two of the VOF3 clusters, V(2) is bonded in a tetrahedral geometry to one O(1), one F(1), one F(4), and one F(5) atom. O(1) is bonded in a single-bond geometry to one V(2) atom. There are three inequivalent F sites. In the first F site, F(1) is bonded in a single-bond geometry to one V(2) atom. In the second F site, F(4) is bonded in a single-bond geometry to one V(2) atom. In the third F site, F(5) is bonded in a single-bond geometry to one V(2) atom. is represented by the CIF file [CIF]
data_VOF3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.382
_cell_length_b   6.419
_cell_length_c   10.783
_cell_angle_alpha   67.336
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   407.650
_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  0.506  0.909  0.998  1.0
  V  V1  1  0.977  0.400  0.000  1.0
  V  V2  1  0.494  0.909  0.498  1.0
  V  V3  1  0.023  0.400  0.500  1.0
  O  O4  1  0.092  0.430  0.124  1.0
  O  O5  1  0.381  0.748  0.941  1.0
  O  O6  1  0.619  0.748  0.441  1.0
  O  O7  1  0.908  0.430  0.624  1.0
  F  F8  1  0.067  0.663  0.370  1.0
  F  F9  1  0.743  0.771  0.065  1.0
  F  F10  1  0.560  0.159  0.859  1.0
  F  F11  1  0.260  0.256  0.563  1.0
  F  F12  1  0.863  0.237  0.439  1.0
  F  F13  1  0.440  0.159  0.359  1.0
  F  F14  1  0.740  0.256  0.063  1.0
  F  F15  1  0.637  0.925  0.634  1.0
  F  F16  1  0.933  0.663  0.870  1.0
  F  F17  1  0.257  0.771  0.565  1.0
  F  F18  1  0.363  0.925  0.134  1.0
  F  F19  1  0.137  0.237  0.939  1.0
[/CIF]
.