The crystal structure described by VOF3(H2)3O2 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of three 1333-74-0 molecules, one hydrogen peroxide molecule, and one VOF3 cluster. In the VOF3 cluster, V(1) is bonded in a tetrahedral geometry to one O(1); one F(2); and two equivalent F(1,3) atoms. O(1) is bonded in a single-bond geometry to one V(1) atom. There are two inequivalent F sites. In the first F site, F(1,3) 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. is represented by the CIF file [CIF]
data_VH6(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.556
_cell_length_b   7.643
_cell_length_c   7.979
_cell_angle_alpha   117.481
_cell_angle_beta   116.813
_cell_angle_gamma   90.769
_symmetry_Int_Tables_number   1
_cell_volume   350.229
_cell_formula_units_Z   1
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  0.930  0.141  0.001  1.0
  H  H1  1  0.505  0.839  0.941  1.0
  H  H2  1  0.056  0.893  0.555  1.0
  H  H3  1  0.449  0.336  0.506  1.0
  H  H4  1  0.495  0.336  0.440  1.0
  H  H5  1  0.566  0.900  0.064  1.0
  H  H6  1  0.946  0.829  0.493  1.0
  O  O7  1  0.828  0.322  0.000  1.0
  O  O8  1  0.114  0.540  0.896  1.0
  O  O9  1  0.211  0.639  0.099  1.0
  F  F10  1  0.753  0.908  0.762  1.0
  F  F11  1  0.157  0.183  0.997  1.0
  F  F12  1  0.990  0.148  0.245  1.0
[/CIF]
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The crystal structure described by VOF3(H2)3O2 is Silicon tetrafluoride-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of three 1333-74-0 molecules, one hydrogen peroxide molecule, and one VOF3 cluster. In the VOF3 cluster, V(1) is bonded in a tetrahedral geometry to one O(1); one F(2); and two equivalent F(1,3) atoms. O(1) is bonded in a single-bond geometry to one V(1) atom. There are two inequivalent F sites. In the first F site, F(1,3) 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. is represented by the CIF file [CIF]
data_VH6(OF)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.556
_cell_length_b   7.643
_cell_length_c   7.979
_cell_angle_alpha   117.481
_cell_angle_beta   116.813
_cell_angle_gamma   90.769
_symmetry_Int_Tables_number   1
_cell_volume   350.229
_cell_formula_units_Z   1
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  0.930  0.141  0.001  1.0
  H  H1  1  0.505  0.839  0.941  1.0
  H  H2  1  0.056  0.893  0.555  1.0
  H  H3  1  0.449  0.336  0.506  1.0
  H  H4  1  0.495  0.336  0.440  1.0
  H  H5  1  0.566  0.900  0.064  1.0
  H  H6  1  0.946  0.829  0.493  1.0
  O  O7  1  0.828  0.322  0.000  1.0
  O  O8  1  0.114  0.540  0.896  1.0
  O  O9  1  0.211  0.639  0.099  1.0
  F  F10  1  0.753  0.908  0.762  1.0
  F  F11  1  0.157  0.183  0.997  1.0
  F  F12  1  0.990  0.148  0.245  1.0
[/CIF]
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