The structure described by VCl6(NO)2 is Fluorite structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and two VCl6 clusters. In each VCl6 cluster, V(1) is bonded in an octahedral geometry to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a single-bond geometry to one V(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one V(1) atom. In the third Cl site, Cl(2) is bonded in a single-bond geometry to one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VN2(Cl3O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.740
_cell_length_b   6.691
_cell_length_c   12.090
_cell_angle_alpha   59.638
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   470.409
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.000  0.500  1.0
  N  N2  1  0.472  0.869  0.190  1.0
  N  N3  1  0.528  0.131  0.810  1.0
  N  N4  1  0.972  0.131  0.310  1.0
  N  N5  1  0.028  0.869  0.690  1.0
  Cl  Cl6  1  0.983  0.188  0.774  1.0
  Cl  Cl7  1  0.676  0.702  0.515  1.0
  Cl  Cl8  1  0.198  0.817  0.500  1.0
  Cl  Cl9  1  0.017  0.812  0.226  1.0
  Cl  Cl10  1  0.302  0.817  1.000  1.0
  Cl  Cl11  1  0.483  0.812  0.726  1.0
  Cl  Cl12  1  0.802  0.183  0.500  1.0
  Cl  Cl13  1  0.824  0.702  0.015  1.0
  Cl  Cl14  1  0.176  0.298  0.985  1.0
  Cl  Cl15  1  0.517  0.188  0.274  1.0
  Cl  Cl16  1  0.698  0.183  0.000  1.0
  Cl  Cl17  1  0.324  0.298  0.485  1.0
  O  O18  1  0.053  0.294  0.241  1.0
  O  O19  1  0.947  0.706  0.759  1.0
  O  O20  1  0.553  0.706  0.259  1.0
  O  O21  1  0.447  0.294  0.741  1.0
[/CIF]
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The structure described by VCl6(NO)2 is Fluorite structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four nitroxyl molecules and two VCl6 clusters. In each VCl6 cluster, V(1) is bonded in an octahedral geometry to two equivalent Cl(1), two equivalent Cl(2), and two equivalent Cl(3) atoms. There are three inequivalent Cl sites. In the first Cl site, Cl(3) is bonded in a single-bond geometry to one V(1) atom. In the second Cl site, Cl(1) is bonded in a single-bond geometry to one V(1) atom. In the third Cl site, Cl(2) is bonded in a single-bond geometry to one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VN2(Cl3O)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.740
_cell_length_b   6.691
_cell_length_c   12.090
_cell_angle_alpha   59.638
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   470.409
_cell_formula_units_Z   2
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  0.000  0.000  0.000  1.0
  V  V1  1  0.500  0.000  0.500  1.0
  N  N2  1  0.472  0.869  0.190  1.0
  N  N3  1  0.528  0.131  0.810  1.0
  N  N4  1  0.972  0.131  0.310  1.0
  N  N5  1  0.028  0.869  0.690  1.0
  Cl  Cl6  1  0.983  0.188  0.774  1.0
  Cl  Cl7  1  0.676  0.702  0.515  1.0
  Cl  Cl8  1  0.198  0.817  0.500  1.0
  Cl  Cl9  1  0.017  0.812  0.226  1.0
  Cl  Cl10  1  0.302  0.817  1.000  1.0
  Cl  Cl11  1  0.483  0.812  0.726  1.0
  Cl  Cl12  1  0.802  0.183  0.500  1.0
  Cl  Cl13  1  0.824  0.702  0.015  1.0
  Cl  Cl14  1  0.176  0.298  0.985  1.0
  Cl  Cl15  1  0.517  0.188  0.274  1.0
  Cl  Cl16  1  0.698  0.183  0.000  1.0
  Cl  Cl17  1  0.324  0.298  0.485  1.0
  O  O18  1  0.053  0.294  0.241  1.0
  O  O19  1  0.947  0.706  0.759  1.0
  O  O20  1  0.553  0.706  0.259  1.0
  O  O21  1  0.447  0.294  0.741  1.0
[/CIF]
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