The crystal structure described by NiO6(SO3)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two sulfur trioxide molecules and one NiO6 cluster. In the NiO6 cluster, Ni(1) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(6) atoms. There are three inequivalent O sites. In the first O site, O(4) is bonded in a single-bond geometry to one O(6) atom. In the second O site, O(5) is bonded in a single-bond geometry to one Ni(1) atom. In the third O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one O(4) atom. is represented by the CIF file [CIF]
data_Ni(SO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.440
_cell_length_b   7.436
_cell_length_c   8.532
_cell_angle_alpha   111.880
_cell_angle_beta   108.351
_cell_angle_gamma   86.257
_symmetry_Int_Tables_number   1
_cell_volume   359.230
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  S  S1  1  0.490  0.426  0.695  1.0
  S  S2  1  0.510  0.574  0.305  1.0
  O  O3  1  0.316  0.277  0.604  1.0
  O  O4  1  0.684  0.723  0.396  1.0
  O  O5  1  0.452  0.615  0.808  1.0
  O  O6  1  0.548  0.385  0.192  1.0
  O  O7  1  0.701  0.386  0.670  1.0
  O  O8  1  0.299  0.614  0.330  1.0
  O  O9  1  0.970  0.940  0.314  1.0
  O  O10  1  0.030  0.060  0.686  1.0
  O  O11  1  0.960  0.229  0.092  1.0
  O  O12  1  0.040  0.771  0.908  1.0
  O  O13  1  0.852  0.925  0.163  1.0
  O  O14  1  0.148  0.075  0.837  1.0
[/CIF]
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The crystal structure described by NiO6(SO3)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two sulfur trioxide molecules and one NiO6 cluster. In the NiO6 cluster, Ni(1) is bonded in a square co-planar geometry to two equivalent O(5) and two equivalent O(6) atoms. There are three inequivalent O sites. In the first O site, O(4) is bonded in a single-bond geometry to one O(6) atom. In the second O site, O(5) is bonded in a single-bond geometry to one Ni(1) atom. In the third O site, O(6) is bonded in a bent 120 degrees geometry to one Ni(1) and one O(4) atom. is represented by the CIF file [CIF]
data_Ni(SO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.440
_cell_length_b   7.436
_cell_length_c   8.532
_cell_angle_alpha   111.880
_cell_angle_beta   108.351
_cell_angle_gamma   86.257
_symmetry_Int_Tables_number   1
_cell_volume   359.230
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  S  S1  1  0.490  0.426  0.695  1.0
  S  S2  1  0.510  0.574  0.305  1.0
  O  O3  1  0.316  0.277  0.604  1.0
  O  O4  1  0.684  0.723  0.396  1.0
  O  O5  1  0.452  0.615  0.808  1.0
  O  O6  1  0.548  0.385  0.192  1.0
  O  O7  1  0.701  0.386  0.670  1.0
  O  O8  1  0.299  0.614  0.330  1.0
  O  O9  1  0.970  0.940  0.314  1.0
  O  O10  1  0.030  0.060  0.686  1.0
  O  O11  1  0.960  0.229  0.092  1.0
  O  O12  1  0.040  0.771  0.908  1.0
  O  O13  1  0.852  0.925  0.163  1.0
  O  O14  1  0.148  0.075  0.837  1.0
[/CIF]
.