The material structure described by NiO4SO2SO3 is Indium-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four sulfur dioxide molecules, four sulfur trioxide molecules, and four NiO4 clusters. In each NiO4 cluster, Ni(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent O sites. In the first O site, O(3) is bonded in a 2-coordinate geometry to one Ni(1) and one O(4) atom. In the second O site, O(4) is bonded in a 2-coordinate geometry to one Ni(1) and one O(3) atom. is represented by the CIF card [CIF]
data_NiS2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.512
_cell_length_b   10.234
_cell_length_c   14.039
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   935.507
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  S  S4  1  0.564  0.313  0.250  1.0
  S  S5  1  0.436  0.687  0.750  1.0
  S  S6  1  0.064  0.187  0.750  1.0
  S  S7  1  0.936  0.813  0.250  1.0
  S  S8  1  0.420  0.002  0.250  1.0
  S  S9  1  0.580  0.998  0.750  1.0
  S  S10  1  0.920  0.498  0.750  1.0
  S  S11  1  0.080  0.502  0.250  1.0
  O  O12  1  0.453  0.332  0.161  1.0
  O  O13  1  0.547  0.668  0.839  1.0
  O  O14  1  0.953  0.168  0.839  1.0
  O  O15  1  0.547  0.668  0.661  1.0
  O  O16  1  0.047  0.832  0.161  1.0
  O  O17  1  0.453  0.332  0.339  1.0
  O  O18  1  0.047  0.832  0.339  1.0
  O  O19  1  0.953  0.168  0.661  1.0
  O  O20  1  0.230  0.072  0.250  1.0
  O  O21  1  0.770  0.928  0.750  1.0
  O  O22  1  0.730  0.428  0.750  1.0
  O  O23  1  0.270  0.572  0.250  1.0
  O  O24  1  0.172  0.136  0.467  1.0
  O  O25  1  0.828  0.864  0.533  1.0
  O  O26  1  0.672  0.364  0.533  1.0
  O  O27  1  0.828  0.864  0.967  1.0
  O  O28  1  0.328  0.636  0.467  1.0
  O  O29  1  0.172  0.136  0.033  1.0
  O  O30  1  0.328  0.636  0.033  1.0
  O  O31  1  0.672  0.364  0.967  1.0
  O  O32  1  0.512  0.650  0.073  1.0
  O  O33  1  0.488  0.350  0.927  1.0
  O  O34  1  0.012  0.850  0.927  1.0
  O  O35  1  0.488  0.350  0.573  1.0
  O  O36  1  0.988  0.150  0.073  1.0
  O  O37  1  0.512  0.650  0.427  1.0
  O  O38  1  0.988  0.150  0.427  1.0
  O  O39  1  0.012  0.850  0.573  1.0
  O  O40  1  0.982  0.469  0.161  1.0
  O  O41  1  0.018  0.531  0.839  1.0
  O  O42  1  0.482  0.031  0.839  1.0
  O  O43  1  0.018  0.531  0.661  1.0
  O  O44  1  0.518  0.969  0.161  1.0
  O  O45  1  0.982  0.469  0.339  1.0
  O  O46  1  0.518  0.969  0.339  1.0
  O  O47  1  0.482  0.031  0.661  1.0
[/CIF]
.
The material structure described by NiO4SO2SO3 is Indium-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four sulfur dioxide molecules, four sulfur trioxide molecules, and four NiO4 clusters. In each NiO4 cluster, Ni(1) is bonded in a square co-planar geometry to two equivalent O(3) and two equivalent O(4) atoms. There are two inequivalent O sites. In the first O site, O(3) is bonded in a 2-coordinate geometry to one Ni(1) and one O(4) atom. In the second O site, O(4) is bonded in a 2-coordinate geometry to one Ni(1) and one O(3) atom. is represented by the CIF card [CIF]
data_NiS2O9
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.512
_cell_length_b   10.234
_cell_length_c   14.039
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   935.507
_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
  Ni  Ni0  1  0.000  0.000  0.000  1.0
  Ni  Ni1  1  0.500  0.500  0.000  1.0
  Ni  Ni2  1  0.000  0.000  0.500  1.0
  Ni  Ni3  1  0.500  0.500  0.500  1.0
  S  S4  1  0.564  0.313  0.250  1.0
  S  S5  1  0.436  0.687  0.750  1.0
  S  S6  1  0.064  0.187  0.750  1.0
  S  S7  1  0.936  0.813  0.250  1.0
  S  S8  1  0.420  0.002  0.250  1.0
  S  S9  1  0.580  0.998  0.750  1.0
  S  S10  1  0.920  0.498  0.750  1.0
  S  S11  1  0.080  0.502  0.250  1.0
  O  O12  1  0.453  0.332  0.161  1.0
  O  O13  1  0.547  0.668  0.839  1.0
  O  O14  1  0.953  0.168  0.839  1.0
  O  O15  1  0.547  0.668  0.661  1.0
  O  O16  1  0.047  0.832  0.161  1.0
  O  O17  1  0.453  0.332  0.339  1.0
  O  O18  1  0.047  0.832  0.339  1.0
  O  O19  1  0.953  0.168  0.661  1.0
  O  O20  1  0.230  0.072  0.250  1.0
  O  O21  1  0.770  0.928  0.750  1.0
  O  O22  1  0.730  0.428  0.750  1.0
  O  O23  1  0.270  0.572  0.250  1.0
  O  O24  1  0.172  0.136  0.467  1.0
  O  O25  1  0.828  0.864  0.533  1.0
  O  O26  1  0.672  0.364  0.533  1.0
  O  O27  1  0.828  0.864  0.967  1.0
  O  O28  1  0.328  0.636  0.467  1.0
  O  O29  1  0.172  0.136  0.033  1.0
  O  O30  1  0.328  0.636  0.033  1.0
  O  O31  1  0.672  0.364  0.967  1.0
  O  O32  1  0.512  0.650  0.073  1.0
  O  O33  1  0.488  0.350  0.927  1.0
  O  O34  1  0.012  0.850  0.927  1.0
  O  O35  1  0.488  0.350  0.573  1.0
  O  O36  1  0.988  0.150  0.073  1.0
  O  O37  1  0.512  0.650  0.427  1.0
  O  O38  1  0.988  0.150  0.427  1.0
  O  O39  1  0.012  0.850  0.573  1.0
  O  O40  1  0.982  0.469  0.161  1.0
  O  O41  1  0.018  0.531  0.839  1.0
  O  O42  1  0.482  0.031  0.839  1.0
  O  O43  1  0.018  0.531  0.661  1.0
  O  O44  1  0.518  0.969  0.161  1.0
  O  O45  1  0.982  0.469  0.339  1.0
  O  O46  1  0.518  0.969  0.339  1.0
  O  O47  1  0.482  0.031  0.661  1.0
[/CIF]
.