The material structure described by NbF6N2Se2SCl is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four N2Se2SCl clusters and four NbF6 clusters. In each N2Se2SCl cluster, there are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one Se(2) and one S(1) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one Se(1) and one S(1) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a single-bond geometry to one N(2) atom. In the second Se site, Se(2) is bonded in a distorted water-like geometry to one N(1) and one Cl(1) atom. S(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. Cl(1) is bonded in a single-bond geometry to one Se(2) atom. In each NbF6 cluster, Nb(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(5) is bonded in a single-bond geometry to one Nb(1) atom. In the second F site, F(4) is bonded in a single-bond geometry to one Nb(1) atom. In the third F site, F(6) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth F site, F(1) is bonded in a single-bond geometry to one Nb(1) atom. In the fifth F site, F(2) is bonded in a single-bond geometry to one Nb(1) atom. In the sixth F site, F(3) is bonded in a single-bond geometry to one Nb(1) atom. is represented by the CIF card [CIF]
data_NbSe2SN2ClF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.544
_cell_length_b   10.678
_cell_length_c   13.716
_cell_angle_alpha   60.757
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1091.832
_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  0.191  0.765  0.322  1.0
  Nb  Nb1  1  0.809  0.235  0.678  1.0
  Nb  Nb2  1  0.691  0.235  0.178  1.0
  Nb  Nb3  1  0.309  0.765  0.822  1.0
  Se  Se4  1  0.177  0.302  0.977  1.0
  Se  Se5  1  0.096  0.319  0.364  1.0
  Se  Se6  1  0.596  0.681  0.136  1.0
  Se  Se7  1  0.677  0.698  0.523  1.0
  Se  Se8  1  0.323  0.302  0.477  1.0
  Se  Se9  1  0.904  0.681  0.636  1.0
  Se  Se10  1  0.404  0.319  0.864  1.0
  Se  Se11  1  0.823  0.698  0.023  1.0
  S  S12  1  0.229  0.051  0.950  1.0
  S  S13  1  0.729  0.949  0.550  1.0
  S  S14  1  0.271  0.051  0.450  1.0
  S  S15  1  0.771  0.949  0.050  1.0
  N  N16  1  0.118  0.140  0.389  1.0
  N  N17  1  0.624  0.871  0.504  1.0
  N  N18  1  0.882  0.860  0.611  1.0
  N  N19  1  0.382  0.140  0.889  1.0
  N  N20  1  0.876  0.871  0.004  1.0
  N  N21  1  0.618  0.860  0.111  1.0
  N  N22  1  0.376  0.129  0.496  1.0
  N  N23  1  0.124  0.129  0.996  1.0
  Cl  Cl24  1  0.812  0.547  0.813  1.0
  Cl  Cl25  1  0.688  0.547  0.313  1.0
  Cl  Cl26  1  0.312  0.453  0.687  1.0
  Cl  Cl27  1  0.188  0.453  0.187  1.0
  F  F28  1  0.653  0.445  0.102  1.0
  F  F29  1  0.763  0.034  0.749  1.0
  F  F30  1  0.489  0.205  0.248  1.0
  F  F31  1  0.011  0.205  0.748  1.0
  F  F32  1  0.285  0.753  0.199  1.0
  F  F33  1  0.594  0.225  0.053  1.0
  F  F34  1  0.715  0.247  0.801  1.0
  F  F35  1  0.094  0.775  0.447  1.0
  F  F36  1  0.391  0.719  0.400  1.0
  F  F37  1  0.153  0.555  0.398  1.0
  F  F38  1  0.609  0.281  0.600  1.0
  F  F39  1  0.737  0.034  0.249  1.0
  F  F40  1  0.347  0.555  0.898  1.0
  F  F41  1  0.989  0.795  0.252  1.0
  F  F42  1  0.109  0.719  0.900  1.0
  F  F43  1  0.785  0.247  0.301  1.0
  F  F44  1  0.237  0.966  0.251  1.0
  F  F45  1  0.847  0.445  0.602  1.0
  F  F46  1  0.511  0.795  0.752  1.0
  F  F47  1  0.906  0.225  0.553  1.0
  F  F48  1  0.891  0.281  0.100  1.0
  F  F49  1  0.263  0.966  0.751  1.0
  F  F50  1  0.406  0.775  0.947  1.0
  F  F51  1  0.215  0.753  0.699  1.0
[/CIF]
.
The material structure described by NbF6N2Se2SCl is Indium-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of four N2Se2SCl clusters and four NbF6 clusters. In each N2Se2SCl cluster, there are two inequivalent N sites. In the first N site, N(1) is bonded in a bent 120 degrees geometry to one Se(2) and one S(1) atom. In the second N site, N(2) is bonded in a bent 120 degrees geometry to one Se(1) and one S(1) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a single-bond geometry to one N(2) atom. In the second Se site, Se(2) is bonded in a distorted water-like geometry to one N(1) and one Cl(1) atom. S(1) is bonded in a bent 120 degrees geometry to one N(1) and one N(2) atom. Cl(1) is bonded in a single-bond geometry to one Se(2) atom. In each NbF6 cluster, Nb(1) is bonded in an octahedral geometry to one F(1), one F(2), one F(3), one F(4), one F(5), and one F(6) atom. There are six inequivalent F sites. In the first F site, F(5) is bonded in a single-bond geometry to one Nb(1) atom. In the second F site, F(4) is bonded in a single-bond geometry to one Nb(1) atom. In the third F site, F(6) is bonded in a single-bond geometry to one Nb(1) atom. In the fourth F site, F(1) is bonded in a single-bond geometry to one Nb(1) atom. In the fifth F site, F(2) is bonded in a single-bond geometry to one Nb(1) atom. In the sixth F site, F(3) is bonded in a single-bond geometry to one Nb(1) atom. is represented by the CIF card [CIF]
data_NbSe2SN2ClF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.544
_cell_length_b   10.678
_cell_length_c   13.716
_cell_angle_alpha   60.757
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1091.832
_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  0.191  0.765  0.322  1.0
  Nb  Nb1  1  0.809  0.235  0.678  1.0
  Nb  Nb2  1  0.691  0.235  0.178  1.0
  Nb  Nb3  1  0.309  0.765  0.822  1.0
  Se  Se4  1  0.177  0.302  0.977  1.0
  Se  Se5  1  0.096  0.319  0.364  1.0
  Se  Se6  1  0.596  0.681  0.136  1.0
  Se  Se7  1  0.677  0.698  0.523  1.0
  Se  Se8  1  0.323  0.302  0.477  1.0
  Se  Se9  1  0.904  0.681  0.636  1.0
  Se  Se10  1  0.404  0.319  0.864  1.0
  Se  Se11  1  0.823  0.698  0.023  1.0
  S  S12  1  0.229  0.051  0.950  1.0
  S  S13  1  0.729  0.949  0.550  1.0
  S  S14  1  0.271  0.051  0.450  1.0
  S  S15  1  0.771  0.949  0.050  1.0
  N  N16  1  0.118  0.140  0.389  1.0
  N  N17  1  0.624  0.871  0.504  1.0
  N  N18  1  0.882  0.860  0.611  1.0
  N  N19  1  0.382  0.140  0.889  1.0
  N  N20  1  0.876  0.871  0.004  1.0
  N  N21  1  0.618  0.860  0.111  1.0
  N  N22  1  0.376  0.129  0.496  1.0
  N  N23  1  0.124  0.129  0.996  1.0
  Cl  Cl24  1  0.812  0.547  0.813  1.0
  Cl  Cl25  1  0.688  0.547  0.313  1.0
  Cl  Cl26  1  0.312  0.453  0.687  1.0
  Cl  Cl27  1  0.188  0.453  0.187  1.0
  F  F28  1  0.653  0.445  0.102  1.0
  F  F29  1  0.763  0.034  0.749  1.0
  F  F30  1  0.489  0.205  0.248  1.0
  F  F31  1  0.011  0.205  0.748  1.0
  F  F32  1  0.285  0.753  0.199  1.0
  F  F33  1  0.594  0.225  0.053  1.0
  F  F34  1  0.715  0.247  0.801  1.0
  F  F35  1  0.094  0.775  0.447  1.0
  F  F36  1  0.391  0.719  0.400  1.0
  F  F37  1  0.153  0.555  0.398  1.0
  F  F38  1  0.609  0.281  0.600  1.0
  F  F39  1  0.737  0.034  0.249  1.0
  F  F40  1  0.347  0.555  0.898  1.0
  F  F41  1  0.989  0.795  0.252  1.0
  F  F42  1  0.109  0.719  0.900  1.0
  F  F43  1  0.785  0.247  0.301  1.0
  F  F44  1  0.237  0.966  0.251  1.0
  F  F45  1  0.847  0.445  0.602  1.0
  F  F46  1  0.511  0.795  0.752  1.0
  F  F47  1  0.906  0.225  0.553  1.0
  F  F48  1  0.891  0.281  0.100  1.0
  F  F49  1  0.263  0.966  0.751  1.0
  F  F50  1  0.406  0.775  0.947  1.0
  F  F51  1  0.215  0.753  0.699  1.0
[/CIF]
.