The structure described by NbAl2(SeCl4)2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two NbAl2(SeCl4)2 clusters. Nb(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), one Cl(3), one Cl(4), one Cl(6), and one Cl(8) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. In the second Al site, Al(2) is bonded in a tetrahedral geometry to one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Se(2) atom. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Se(1) atom. There are eight inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in an L-shaped geometry to one Nb(1) and one Al(1) atom. In the second Cl site, Cl(5) is bonded in a single-bond geometry to one Al(2) atom. In the third Cl site, Cl(6) is bonded in an L-shaped geometry to one Nb(1) and one Al(2) atom. In the fourth Cl site, Cl(7) is bonded in a single-bond geometry to one Al(2) atom. In the fifth Cl site, Cl(8) is bonded in an L-shaped geometry to one Nb(1) and one Al(2) atom. In the sixth Cl site, Cl(1) is bonded in a single-bond geometry to one Al(1) atom. In the seventh Cl site, Cl(2) is bonded in a single-bond geometry to one Al(1) atom. In the eighth Cl site, Cl(3) is bonded in an L-shaped geometry to one Nb(1) and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbAl2(SeCl4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.244
_cell_length_b   9.281
_cell_length_c   18.746
_cell_angle_alpha   63.445
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1594.294
_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  0.107  0.415  0.558  1.0
  Nb  Nb1  1  0.393  0.415  0.058  1.0
  Nb  Nb2  1  0.893  0.585  0.442  1.0
  Nb  Nb3  1  0.607  0.585  0.942  1.0
  Al  Al4  1  0.350  0.108  0.582  1.0
  Al  Al5  1  0.150  0.108  0.082  1.0
  Al  Al6  1  0.650  0.892  0.418  1.0
  Al  Al7  1  0.850  0.892  0.918  1.0
  Al  Al8  1  0.230  0.430  0.738  1.0
  Al  Al9  1  0.270  0.430  0.238  1.0
  Al  Al10  1  0.770  0.570  0.262  1.0
  Al  Al11  1  0.730  0.570  0.762  1.0
  Se  Se12  1  0.011  0.700  0.531  1.0
  Se  Se13  1  0.489  0.700  0.031  1.0
  Se  Se14  1  0.989  0.300  0.469  1.0
  Se  Se15  1  0.511  0.300  0.969  1.0
  Se  Se16  1  0.864  0.307  0.571  1.0
  Se  Se17  1  0.636  0.307  0.071  1.0
  Se  Se18  1  0.136  0.693  0.429  1.0
  Se  Se19  1  0.364  0.693  0.929  1.0
  Cl  Cl20  1  0.524  0.101  0.644  1.0
  Cl  Cl21  1  0.976  0.101  0.144  1.0
  Cl  Cl22  1  0.476  0.899  0.356  1.0
  Cl  Cl23  1  0.024  0.899  0.856  1.0
  Cl  Cl24  1  0.328  0.936  0.539  1.0
  Cl  Cl25  1  0.172  0.936  0.039  1.0
  Cl  Cl26  1  0.672  0.064  0.461  1.0
  Cl  Cl27  1  0.828  0.064  0.961  1.0
  Cl  Cl28  1  0.173  0.109  0.650  1.0
  Cl  Cl29  1  0.327  0.109  0.150  1.0
  Cl  Cl30  1  0.827  0.891  0.350  1.0
  Cl  Cl31  1  0.673  0.891  0.850  1.0
  Cl  Cl32  1  0.312  0.360  0.488  1.0
  Cl  Cl33  1  0.188  0.360  0.988  1.0
  Cl  Cl34  1  0.688  0.640  0.512  1.0
  Cl  Cl35  1  0.812  0.640  0.012  1.0
  Cl  Cl36  1  0.330  0.233  0.827  1.0
  Cl  Cl37  1  0.170  0.233  0.327  1.0
  Cl  Cl38  1  0.670  0.767  0.173  1.0
  Cl  Cl39  1  0.830  0.767  0.673  1.0
  Cl  Cl40  1  0.040  0.358  0.705  1.0
  Cl  Cl41  1  0.460  0.358  0.205  1.0
  Cl  Cl42  1  0.960  0.642  0.295  1.0
  Cl  Cl43  1  0.540  0.642  0.795  1.0
  Cl  Cl44  1  0.196  0.628  0.763  1.0
  Cl  Cl45  1  0.304  0.628  0.263  1.0
  Cl  Cl46  1  0.804  0.372  0.237  1.0
  Cl  Cl47  1  0.696  0.372  0.737  1.0
  Cl  Cl48  1  0.315  0.499  0.618  1.0
  Cl  Cl49  1  0.185  0.499  0.118  1.0
  Cl  Cl50  1  0.685  0.501  0.382  1.0
  Cl  Cl51  1  0.815  0.501  0.882  1.0
[/CIF]
.
The structure described by NbAl2(SeCl4)2 is Indium-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two NbAl2(SeCl4)2 clusters. Nb(1) is bonded in a 8-coordinate geometry to two equivalent Se(1), two equivalent Se(2), one Cl(3), one Cl(4), one Cl(6), and one Cl(8) atom. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. In the second Al site, Al(2) is bonded in a tetrahedral geometry to one Cl(5), one Cl(6), one Cl(7), and one Cl(8) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Se(2) atom. In the second Se site, Se(2) is bonded in a 3-coordinate geometry to two equivalent Nb(1) and one Se(1) atom. There are eight inequivalent Cl sites. In the first Cl site, Cl(4) is bonded in an L-shaped geometry to one Nb(1) and one Al(1) atom. In the second Cl site, Cl(5) is bonded in a single-bond geometry to one Al(2) atom. In the third Cl site, Cl(6) is bonded in an L-shaped geometry to one Nb(1) and one Al(2) atom. In the fourth Cl site, Cl(7) is bonded in a single-bond geometry to one Al(2) atom. In the fifth Cl site, Cl(8) is bonded in an L-shaped geometry to one Nb(1) and one Al(2) atom. In the sixth Cl site, Cl(1) is bonded in a single-bond geometry to one Al(1) atom. In the seventh Cl site, Cl(2) is bonded in a single-bond geometry to one Al(1) atom. In the eighth Cl site, Cl(3) is bonded in an L-shaped geometry to one Nb(1) and one Al(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NbAl2(SeCl4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.244
_cell_length_b   9.281
_cell_length_c   18.746
_cell_angle_alpha   63.445
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1594.294
_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  0.107  0.415  0.558  1.0
  Nb  Nb1  1  0.393  0.415  0.058  1.0
  Nb  Nb2  1  0.893  0.585  0.442  1.0
  Nb  Nb3  1  0.607  0.585  0.942  1.0
  Al  Al4  1  0.350  0.108  0.582  1.0
  Al  Al5  1  0.150  0.108  0.082  1.0
  Al  Al6  1  0.650  0.892  0.418  1.0
  Al  Al7  1  0.850  0.892  0.918  1.0
  Al  Al8  1  0.230  0.430  0.738  1.0
  Al  Al9  1  0.270  0.430  0.238  1.0
  Al  Al10  1  0.770  0.570  0.262  1.0
  Al  Al11  1  0.730  0.570  0.762  1.0
  Se  Se12  1  0.011  0.700  0.531  1.0
  Se  Se13  1  0.489  0.700  0.031  1.0
  Se  Se14  1  0.989  0.300  0.469  1.0
  Se  Se15  1  0.511  0.300  0.969  1.0
  Se  Se16  1  0.864  0.307  0.571  1.0
  Se  Se17  1  0.636  0.307  0.071  1.0
  Se  Se18  1  0.136  0.693  0.429  1.0
  Se  Se19  1  0.364  0.693  0.929  1.0
  Cl  Cl20  1  0.524  0.101  0.644  1.0
  Cl  Cl21  1  0.976  0.101  0.144  1.0
  Cl  Cl22  1  0.476  0.899  0.356  1.0
  Cl  Cl23  1  0.024  0.899  0.856  1.0
  Cl  Cl24  1  0.328  0.936  0.539  1.0
  Cl  Cl25  1  0.172  0.936  0.039  1.0
  Cl  Cl26  1  0.672  0.064  0.461  1.0
  Cl  Cl27  1  0.828  0.064  0.961  1.0
  Cl  Cl28  1  0.173  0.109  0.650  1.0
  Cl  Cl29  1  0.327  0.109  0.150  1.0
  Cl  Cl30  1  0.827  0.891  0.350  1.0
  Cl  Cl31  1  0.673  0.891  0.850  1.0
  Cl  Cl32  1  0.312  0.360  0.488  1.0
  Cl  Cl33  1  0.188  0.360  0.988  1.0
  Cl  Cl34  1  0.688  0.640  0.512  1.0
  Cl  Cl35  1  0.812  0.640  0.012  1.0
  Cl  Cl36  1  0.330  0.233  0.827  1.0
  Cl  Cl37  1  0.170  0.233  0.327  1.0
  Cl  Cl38  1  0.670  0.767  0.173  1.0
  Cl  Cl39  1  0.830  0.767  0.673  1.0
  Cl  Cl40  1  0.040  0.358  0.705  1.0
  Cl  Cl41  1  0.460  0.358  0.205  1.0
  Cl  Cl42  1  0.960  0.642  0.295  1.0
  Cl  Cl43  1  0.540  0.642  0.795  1.0
  Cl  Cl44  1  0.196  0.628  0.763  1.0
  Cl  Cl45  1  0.304  0.628  0.263  1.0
  Cl  Cl46  1  0.804  0.372  0.237  1.0
  Cl  Cl47  1  0.696  0.372  0.737  1.0
  Cl  Cl48  1  0.315  0.499  0.618  1.0
  Cl  Cl49  1  0.185  0.499  0.118  1.0
  Cl  Cl50  1  0.685  0.501  0.382  1.0
  Cl  Cl51  1  0.815  0.501  0.882  1.0
[/CIF]
.