The structure described by NSOCl is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four NSOCl clusters. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent N(1), one O(1), and one Cl(2) atom to form corner-sharing SN2ClO tetrahedra. In the second S site, S(2) is bonded to one N(1), one N(2), one O(2), and one Cl(1) atom to form corner-sharing SN2ClO tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one S(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF file [CIF]
data_SNClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.887
_cell_length_b   10.513
_cell_length_c   12.055
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   999.481
_cell_formula_units_Z   12
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
  S  S0  1  0.403  0.520  0.250  1.0
  S  S1  1  0.869  0.869  0.635  1.0
  S  S2  1  0.597  0.480  0.750  1.0
  S  S3  1  0.131  0.131  0.365  1.0
  S  S4  1  0.369  0.631  0.865  1.0
  S  S5  1  0.097  0.020  0.750  1.0
  S  S6  1  0.631  0.369  0.365  1.0
  S  S7  1  0.903  0.980  0.250  1.0
  S  S8  1  0.131  0.131  0.135  1.0
  S  S9  1  0.369  0.631  0.635  1.0
  S  S10  1  0.869  0.869  0.865  1.0
  S  S11  1  0.631  0.369  0.135  1.0
  N  N12  1  0.538  0.550  0.640  1.0
  N  N13  1  0.679  0.305  0.250  1.0
  N  N14  1  0.038  0.950  0.640  1.0
  N  N15  1  0.179  0.195  0.250  1.0
  N  N16  1  0.538  0.550  0.860  1.0
  N  N17  1  0.038  0.950  0.860  1.0
  N  N18  1  0.462  0.450  0.360  1.0
  N  N19  1  0.321  0.695  0.750  1.0
  N  N20  1  0.962  0.050  0.140  1.0
  N  N21  1  0.962  0.050  0.360  1.0
  N  N22  1  0.462  0.450  0.140  1.0
  N  N23  1  0.821  0.805  0.750  1.0
  Cl  Cl24  1  0.679  0.993  0.599  1.0
  Cl  Cl25  1  0.982  0.194  0.750  1.0
  Cl  Cl26  1  0.821  0.493  0.099  1.0
  Cl  Cl27  1  0.179  0.507  0.901  1.0
  Cl  Cl28  1  0.018  0.806  0.250  1.0
  Cl  Cl29  1  0.179  0.507  0.599  1.0
  Cl  Cl30  1  0.518  0.694  0.250  1.0
  Cl  Cl31  1  0.321  0.007  0.099  1.0
  Cl  Cl32  1  0.321  0.007  0.401  1.0
  Cl  Cl33  1  0.482  0.306  0.750  1.0
  Cl  Cl34  1  0.679  0.993  0.901  1.0
  Cl  Cl35  1  0.821  0.493  0.401  1.0
  O  O36  1  0.724  0.958  0.250  1.0
  O  O37  1  0.625  0.277  0.048  1.0
  O  O38  1  0.125  0.223  0.452  1.0
  O  O39  1  0.375  0.723  0.952  1.0
  O  O40  1  0.224  0.542  0.250  1.0
  O  O41  1  0.125  0.223  0.048  1.0
  O  O42  1  0.276  0.042  0.750  1.0
  O  O43  1  0.375  0.723  0.548  1.0
  O  O44  1  0.875  0.777  0.548  1.0
  O  O45  1  0.875  0.777  0.952  1.0
  O  O46  1  0.625  0.277  0.452  1.0
  O  O47  1  0.776  0.458  0.750  1.0
[/CIF]
.
The structure described by NSOCl is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four NSOCl clusters. There are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one S(1) and one S(2) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent N(1), one O(1), and one Cl(2) atom to form corner-sharing SN2ClO tetrahedra. In the second S site, S(2) is bonded to one N(1), one N(2), one O(2), and one Cl(1) atom to form corner-sharing SN2ClO tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one S(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one S(2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one S(2) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one S(1) atom. is represented by the CIF file [CIF]
data_SNClO
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.887
_cell_length_b   10.513
_cell_length_c   12.055
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   999.481
_cell_formula_units_Z   12
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
  S  S0  1  0.403  0.520  0.250  1.0
  S  S1  1  0.869  0.869  0.635  1.0
  S  S2  1  0.597  0.480  0.750  1.0
  S  S3  1  0.131  0.131  0.365  1.0
  S  S4  1  0.369  0.631  0.865  1.0
  S  S5  1  0.097  0.020  0.750  1.0
  S  S6  1  0.631  0.369  0.365  1.0
  S  S7  1  0.903  0.980  0.250  1.0
  S  S8  1  0.131  0.131  0.135  1.0
  S  S9  1  0.369  0.631  0.635  1.0
  S  S10  1  0.869  0.869  0.865  1.0
  S  S11  1  0.631  0.369  0.135  1.0
  N  N12  1  0.538  0.550  0.640  1.0
  N  N13  1  0.679  0.305  0.250  1.0
  N  N14  1  0.038  0.950  0.640  1.0
  N  N15  1  0.179  0.195  0.250  1.0
  N  N16  1  0.538  0.550  0.860  1.0
  N  N17  1  0.038  0.950  0.860  1.0
  N  N18  1  0.462  0.450  0.360  1.0
  N  N19  1  0.321  0.695  0.750  1.0
  N  N20  1  0.962  0.050  0.140  1.0
  N  N21  1  0.962  0.050  0.360  1.0
  N  N22  1  0.462  0.450  0.140  1.0
  N  N23  1  0.821  0.805  0.750  1.0
  Cl  Cl24  1  0.679  0.993  0.599  1.0
  Cl  Cl25  1  0.982  0.194  0.750  1.0
  Cl  Cl26  1  0.821  0.493  0.099  1.0
  Cl  Cl27  1  0.179  0.507  0.901  1.0
  Cl  Cl28  1  0.018  0.806  0.250  1.0
  Cl  Cl29  1  0.179  0.507  0.599  1.0
  Cl  Cl30  1  0.518  0.694  0.250  1.0
  Cl  Cl31  1  0.321  0.007  0.099  1.0
  Cl  Cl32  1  0.321  0.007  0.401  1.0
  Cl  Cl33  1  0.482  0.306  0.750  1.0
  Cl  Cl34  1  0.679  0.993  0.901  1.0
  Cl  Cl35  1  0.821  0.493  0.401  1.0
  O  O36  1  0.724  0.958  0.250  1.0
  O  O37  1  0.625  0.277  0.048  1.0
  O  O38  1  0.125  0.223  0.452  1.0
  O  O39  1  0.375  0.723  0.952  1.0
  O  O40  1  0.224  0.542  0.250  1.0
  O  O41  1  0.125  0.223  0.048  1.0
  O  O42  1  0.276  0.042  0.750  1.0
  O  O43  1  0.375  0.723  0.548  1.0
  O  O44  1  0.875  0.777  0.548  1.0
  O  O45  1  0.875  0.777  0.952  1.0
  O  O46  1  0.625  0.277  0.452  1.0
  O  O47  1  0.776  0.458  0.750  1.0
[/CIF]
.