The material described by NbNSCl6 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four NbNSCl6 clusters. In two of the NbNSCl6 clusters, Nb(1) is bonded in an octahedral geometry to one N(2), one Cl(10), one Cl(11), one Cl(12), one Cl(2), and one Cl(8) atom. N(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one S(2) atom. S(2) is bonded in a bent 120 degrees geometry to one N(2) and one Cl(5) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one Nb(1) atom. In the second Cl site, Cl(5) is bonded in a single-bond geometry to one S(2) atom. In the third Cl site, Cl(8) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth Cl site, Cl(10) is bonded in a single-bond geometry to one Nb(1) atom. In the fifth Cl site, Cl(11) is bonded in a single-bond geometry to one Nb(1) atom. In the sixth Cl site, Cl(12) is bonded in a single-bond geometry to one Nb(1) atom. In two of the NbNSCl6 clusters, Nb(2) is bonded in an octahedral geometry to one N(1), one Cl(3), one Cl(4), one Cl(6), one Cl(7), and one Cl(9) atom. N(1) is bonded in a linear geometry to one Nb(2) and one S(1) atom. S(1) is bonded in a bent 120 degrees geometry to one N(1) and one Cl(1) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one S(1) atom. In the second Cl site, Cl(3) is bonded in a single-bond geometry to one Nb(2) atom. In the third Cl site, Cl(4) is bonded in a single-bond geometry to one Nb(2) atom. In the fourth Cl site, Cl(6) is bonded in a single-bond geometry to one Nb(2) atom. In the fifth Cl site, Cl(7) is bonded in a single-bond geometry to one Nb(2) atom. In the sixth Cl site, Cl(9) is bonded in a single-bond geometry to one Nb(2) atom. is represented by the CIF file [CIF]
data_NbSNCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.525
_cell_length_b   12.429
_cell_length_c   13.003
_cell_angle_alpha   83.409
_cell_angle_beta   78.481
_cell_angle_gamma   82.410
_symmetry_Int_Tables_number   1
_cell_volume   1020.024
_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
  Nb  Nb0  1  0.076  0.027  0.221  1.0
  Nb  Nb1  1  0.121  0.460  0.735  1.0
  Nb  Nb2  1  0.879  0.540  0.265  1.0
  Nb  Nb3  1  0.924  0.973  0.779  1.0
  S  S4  1  0.080  0.286  0.528  1.0
  S  S5  1  0.464  0.226  0.172  1.0
  S  S6  1  0.920  0.714  0.472  1.0
  S  S7  1  0.536  0.774  0.828  1.0
  N  N8  1  0.941  0.641  0.390  1.0
  N  N9  1  0.059  0.359  0.610  1.0
  N  N10  1  0.663  0.864  0.791  1.0
  N  N11  1  0.337  0.136  0.209  1.0
  Cl  Cl12  1  0.622  0.810  0.510  1.0
  Cl  Cl13  1  0.199  0.076  0.768  1.0
  Cl  Cl14  1  0.170  0.563  0.863  1.0
  Cl  Cl15  1  0.293  0.560  0.585  1.0
  Cl  Cl16  1  0.407  0.319  0.030  1.0
  Cl  Cl17  1  0.429  0.339  0.737  1.0
  Cl  Cl18  1  0.201  0.431  0.298  1.0
  Cl  Cl19  1  0.344  0.926  0.112  1.0
  Cl  Cl20  1  0.914  0.338  0.846  1.0
  Cl  Cl21  1  0.656  0.074  0.888  1.0
  Cl  Cl22  1  0.086  0.662  0.154  1.0
  Cl  Cl23  1  0.191  0.934  0.373  1.0
  Cl  Cl24  1  0.896  0.167  0.326  1.0
  Cl  Cl25  1  0.830  0.437  0.137  1.0
  Cl  Cl26  1  0.571  0.661  0.263  1.0
  Cl  Cl27  1  0.986  0.137  0.070  1.0
  Cl  Cl28  1  0.801  0.924  0.232  1.0
  Cl  Cl29  1  0.707  0.440  0.415  1.0
  Cl  Cl30  1  0.378  0.190  0.490  1.0
  Cl  Cl31  1  0.809  0.066  0.627  1.0
  Cl  Cl32  1  0.104  0.833  0.674  1.0
  Cl  Cl33  1  0.014  0.863  0.930  1.0
  Cl  Cl34  1  0.593  0.681  0.970  1.0
  Cl  Cl35  1  0.799  0.569  0.702  1.0
[/CIF]
.
The material described by NbNSCl6 is Indium-like structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four NbNSCl6 clusters. In two of the NbNSCl6 clusters, Nb(1) is bonded in an octahedral geometry to one N(2), one Cl(10), one Cl(11), one Cl(12), one Cl(2), and one Cl(8) atom. N(2) is bonded in a bent 150 degrees geometry to one Nb(1) and one S(2) atom. S(2) is bonded in a bent 120 degrees geometry to one N(2) and one Cl(5) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(2) is bonded in a single-bond geometry to one Nb(1) atom. In the second Cl site, Cl(5) is bonded in a single-bond geometry to one S(2) atom. In the third Cl site, Cl(8) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth Cl site, Cl(10) is bonded in a single-bond geometry to one Nb(1) atom. In the fifth Cl site, Cl(11) is bonded in a single-bond geometry to one Nb(1) atom. In the sixth Cl site, Cl(12) is bonded in a single-bond geometry to one Nb(1) atom. In two of the NbNSCl6 clusters, Nb(2) is bonded in an octahedral geometry to one N(1), one Cl(3), one Cl(4), one Cl(6), one Cl(7), and one Cl(9) atom. N(1) is bonded in a linear geometry to one Nb(2) and one S(1) atom. S(1) is bonded in a bent 120 degrees geometry to one N(1) and one Cl(1) atom. There are six inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one S(1) atom. In the second Cl site, Cl(3) is bonded in a single-bond geometry to one Nb(2) atom. In the third Cl site, Cl(4) is bonded in a single-bond geometry to one Nb(2) atom. In the fourth Cl site, Cl(6) is bonded in a single-bond geometry to one Nb(2) atom. In the fifth Cl site, Cl(7) is bonded in a single-bond geometry to one Nb(2) atom. In the sixth Cl site, Cl(9) is bonded in a single-bond geometry to one Nb(2) atom. is represented by the CIF file [CIF]
data_NbSNCl6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.525
_cell_length_b   12.429
_cell_length_c   13.003
_cell_angle_alpha   83.409
_cell_angle_beta   78.481
_cell_angle_gamma   82.410
_symmetry_Int_Tables_number   1
_cell_volume   1020.024
_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
  Nb  Nb0  1  0.076  0.027  0.221  1.0
  Nb  Nb1  1  0.121  0.460  0.735  1.0
  Nb  Nb2  1  0.879  0.540  0.265  1.0
  Nb  Nb3  1  0.924  0.973  0.779  1.0
  S  S4  1  0.080  0.286  0.528  1.0
  S  S5  1  0.464  0.226  0.172  1.0
  S  S6  1  0.920  0.714  0.472  1.0
  S  S7  1  0.536  0.774  0.828  1.0
  N  N8  1  0.941  0.641  0.390  1.0
  N  N9  1  0.059  0.359  0.610  1.0
  N  N10  1  0.663  0.864  0.791  1.0
  N  N11  1  0.337  0.136  0.209  1.0
  Cl  Cl12  1  0.622  0.810  0.510  1.0
  Cl  Cl13  1  0.199  0.076  0.768  1.0
  Cl  Cl14  1  0.170  0.563  0.863  1.0
  Cl  Cl15  1  0.293  0.560  0.585  1.0
  Cl  Cl16  1  0.407  0.319  0.030  1.0
  Cl  Cl17  1  0.429  0.339  0.737  1.0
  Cl  Cl18  1  0.201  0.431  0.298  1.0
  Cl  Cl19  1  0.344  0.926  0.112  1.0
  Cl  Cl20  1  0.914  0.338  0.846  1.0
  Cl  Cl21  1  0.656  0.074  0.888  1.0
  Cl  Cl22  1  0.086  0.662  0.154  1.0
  Cl  Cl23  1  0.191  0.934  0.373  1.0
  Cl  Cl24  1  0.896  0.167  0.326  1.0
  Cl  Cl25  1  0.830  0.437  0.137  1.0
  Cl  Cl26  1  0.571  0.661  0.263  1.0
  Cl  Cl27  1  0.986  0.137  0.070  1.0
  Cl  Cl28  1  0.801  0.924  0.232  1.0
  Cl  Cl29  1  0.707  0.440  0.415  1.0
  Cl  Cl30  1  0.378  0.190  0.490  1.0
  Cl  Cl31  1  0.809  0.066  0.627  1.0
  Cl  Cl32  1  0.104  0.833  0.674  1.0
  Cl  Cl33  1  0.014  0.863  0.930  1.0
  Cl  Cl34  1  0.593  0.681  0.970  1.0
  Cl  Cl35  1  0.799  0.569  0.702  1.0
[/CIF]
.