The structure described by NbCl5(P2S5)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one NbCl5 cluster and two P2S5 clusters. In the NbCl5 cluster, Nb(1) is bonded to one Cl(3); one Cl(5); two equivalent Cl(1,4); and two equivalent Cl(2) atoms to form edge-sharing NbCl6 octahedra. There are four inequivalent Cl sites. In the first Cl site, Cl(3) 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 Nb(1) atom. In the third Cl site, Cl(1,4) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Nb(1) atoms. In each P2S5 cluster, there are four inequivalent P sites. In the first P site, P(1) is bonded to one S(10), one S(6), one S(8), and one S(9) atom to form corner-sharing PS4 tetrahedra. In the second P site, P(2) is bonded to one S(10), one S(3), one S(4), and one S(7) atom to form corner-sharing PS4 tetrahedra. In the third P site, P(3) is bonded to one S(1), one S(2), one S(4), and one S(8) atom to form corner-sharing PS4 tetrahedra. In the fourth P site, P(4) is bonded to one S(2), one S(3), one S(5), and one S(6) atom to form corner-sharing PS4 tetrahedra. There are ten inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one P(3) atom. In the second S site, S(2) is bonded in a water-like geometry to one P(3) and one P(4) atom. In the third S site, S(3) is bonded in a water-like geometry to one P(2) and one P(4) atom. In the fourth S site, S(4) is bonded in a water-like geometry to one P(2) and one P(3) atom. In the fifth S site, S(5) is bonded in a single-bond geometry to one P(4) atom. In the sixth S site, S(6) is bonded in a water-like geometry to one P(1) and one P(4) atom. In the seventh S site, S(7) is bonded in a single-bond geometry to one P(2) atom. In the eighth S site, S(8) is bonded in a water-like geometry to one P(1) and one P(3) atom. In the ninth S site, S(9) is bonded in a single-bond geometry to one P(1) atom. In the tenth S site, S(10) is bonded in a water-like geometry to one P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbP4(S2Cl)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.302
_cell_length_b   11.728
_cell_length_c   12.326
_cell_angle_alpha   70.670
_cell_angle_beta   67.724
_cell_angle_gamma   67.637
_symmetry_Int_Tables_number   1
_cell_volume   1243.850
_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
  Nb  Nb0  1  0.958  0.871  0.656  1.0
  Nb  Nb1  1  0.042  0.129  0.344  1.0
  P  P2  1  0.305  0.349  0.837  1.0
  P  P3  1  0.378  0.271  0.568  1.0
  P  P4  1  0.701  0.944  0.163  1.0
  P  P5  1  0.695  0.651  0.163  1.0
  P  P6  1  0.299  0.056  0.837  1.0
  P  P7  1  0.025  0.324  0.763  1.0
  P  P8  1  0.975  0.676  0.237  1.0
  P  P9  1  0.622  0.729  0.432  1.0
  S  S10  1  0.657  0.120  0.085  1.0
  S  S11  1  0.073  0.130  0.848  1.0
  S  S12  1  0.849  0.655  0.420  1.0
  S  S13  1  0.575  0.923  0.347  1.0
  S  S14  1  0.180  0.608  0.226  1.0
  S  S15  1  0.921  0.578  0.151  1.0
  S  S16  1  0.820  0.392  0.774  1.0
  S  S17  1  0.425  0.077  0.653  1.0
  S  S18  1  0.343  0.880  0.915  1.0
  S  S19  1  0.927  0.870  0.152  1.0
  S  S20  1  0.509  0.709  0.598  1.0
  S  S21  1  0.648  0.845  0.078  1.0
  S  S22  1  0.352  0.439  0.915  1.0
  S  S23  1  0.079  0.422  0.849  1.0
  S  S24  1  0.648  0.561  0.085  1.0
  S  S25  1  0.491  0.291  0.402  1.0
  S  S26  1  0.431  0.370  0.654  1.0
  S  S27  1  0.151  0.345  0.580  1.0
  S  S28  1  0.352  0.155  0.922  1.0
  S  S29  1  0.569  0.630  0.346  1.0
  Cl  Cl30  1  0.800  0.048  0.735  1.0
  Cl  Cl31  1  0.132  0.012  0.532  1.0
  Cl  Cl32  1  0.217  0.232  0.269  1.0
  Cl  Cl33  1  0.874  0.276  0.458  1.0
  Cl  Cl34  1  0.924  0.206  0.198  1.0
  Cl  Cl35  1  0.126  0.724  0.542  1.0
  Cl  Cl36  1  0.200  0.952  0.265  1.0
  Cl  Cl37  1  0.868  0.988  0.468  1.0
  Cl  Cl38  1  0.076  0.794  0.802  1.0
  Cl  Cl39  1  0.783  0.768  0.731  1.0
[/CIF]
.
The structure described by NbCl5(P2S5)2 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of one NbCl5 cluster and two P2S5 clusters. In the NbCl5 cluster, Nb(1) is bonded to one Cl(3); one Cl(5); two equivalent Cl(1,4); and two equivalent Cl(2) atoms to form edge-sharing NbCl6 octahedra. There are four inequivalent Cl sites. In the first Cl site, Cl(3) 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 Nb(1) atom. In the third Cl site, Cl(1,4) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth Cl site, Cl(2) is bonded in a water-like geometry to two equivalent Nb(1) atoms. In each P2S5 cluster, there are four inequivalent P sites. In the first P site, P(1) is bonded to one S(10), one S(6), one S(8), and one S(9) atom to form corner-sharing PS4 tetrahedra. In the second P site, P(2) is bonded to one S(10), one S(3), one S(4), and one S(7) atom to form corner-sharing PS4 tetrahedra. In the third P site, P(3) is bonded to one S(1), one S(2), one S(4), and one S(8) atom to form corner-sharing PS4 tetrahedra. In the fourth P site, P(4) is bonded to one S(2), one S(3), one S(5), and one S(6) atom to form corner-sharing PS4 tetrahedra. There are ten inequivalent S sites. In the first S site, S(1) is bonded in a single-bond geometry to one P(3) atom. In the second S site, S(2) is bonded in a water-like geometry to one P(3) and one P(4) atom. In the third S site, S(3) is bonded in a water-like geometry to one P(2) and one P(4) atom. In the fourth S site, S(4) is bonded in a water-like geometry to one P(2) and one P(3) atom. In the fifth S site, S(5) is bonded in a single-bond geometry to one P(4) atom. In the sixth S site, S(6) is bonded in a water-like geometry to one P(1) and one P(4) atom. In the seventh S site, S(7) is bonded in a single-bond geometry to one P(2) atom. In the eighth S site, S(8) is bonded in a water-like geometry to one P(1) and one P(3) atom. In the ninth S site, S(9) is bonded in a single-bond geometry to one P(1) atom. In the tenth S site, S(10) is bonded in a water-like geometry to one P(1) and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbP4(S2Cl)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.302
_cell_length_b   11.728
_cell_length_c   12.326
_cell_angle_alpha   70.670
_cell_angle_beta   67.724
_cell_angle_gamma   67.637
_symmetry_Int_Tables_number   1
_cell_volume   1243.850
_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
  Nb  Nb0  1  0.958  0.871  0.656  1.0
  Nb  Nb1  1  0.042  0.129  0.344  1.0
  P  P2  1  0.305  0.349  0.837  1.0
  P  P3  1  0.378  0.271  0.568  1.0
  P  P4  1  0.701  0.944  0.163  1.0
  P  P5  1  0.695  0.651  0.163  1.0
  P  P6  1  0.299  0.056  0.837  1.0
  P  P7  1  0.025  0.324  0.763  1.0
  P  P8  1  0.975  0.676  0.237  1.0
  P  P9  1  0.622  0.729  0.432  1.0
  S  S10  1  0.657  0.120  0.085  1.0
  S  S11  1  0.073  0.130  0.848  1.0
  S  S12  1  0.849  0.655  0.420  1.0
  S  S13  1  0.575  0.923  0.347  1.0
  S  S14  1  0.180  0.608  0.226  1.0
  S  S15  1  0.921  0.578  0.151  1.0
  S  S16  1  0.820  0.392  0.774  1.0
  S  S17  1  0.425  0.077  0.653  1.0
  S  S18  1  0.343  0.880  0.915  1.0
  S  S19  1  0.927  0.870  0.152  1.0
  S  S20  1  0.509  0.709  0.598  1.0
  S  S21  1  0.648  0.845  0.078  1.0
  S  S22  1  0.352  0.439  0.915  1.0
  S  S23  1  0.079  0.422  0.849  1.0
  S  S24  1  0.648  0.561  0.085  1.0
  S  S25  1  0.491  0.291  0.402  1.0
  S  S26  1  0.431  0.370  0.654  1.0
  S  S27  1  0.151  0.345  0.580  1.0
  S  S28  1  0.352  0.155  0.922  1.0
  S  S29  1  0.569  0.630  0.346  1.0
  Cl  Cl30  1  0.800  0.048  0.735  1.0
  Cl  Cl31  1  0.132  0.012  0.532  1.0
  Cl  Cl32  1  0.217  0.232  0.269  1.0
  Cl  Cl33  1  0.874  0.276  0.458  1.0
  Cl  Cl34  1  0.924  0.206  0.198  1.0
  Cl  Cl35  1  0.126  0.724  0.542  1.0
  Cl  Cl36  1  0.200  0.952  0.265  1.0
  Cl  Cl37  1  0.868  0.988  0.468  1.0
  Cl  Cl38  1  0.076  0.794  0.802  1.0
  Cl  Cl39  1  0.783  0.768  0.731  1.0
[/CIF]
.