The crystal structure described by AlCl4(SbSe)5 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two AlCl4 clusters and one SbSe cluster. In each AlCl4 cluster, Al(1) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Al(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Al(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Al(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Al(1) atom. In the SbSe cluster, there are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted L-shaped geometry to one Se(1) and one Se(2) atom. In the second Sb site, Sb(2) is bonded in a distorted L-shaped geometry to one Se(3) and one Se(4) atom. In the third Sb site, Sb(3) is bonded in a distorted L-shaped geometry to one Se(1) and one Se(3) atom. In the fourth Sb site, Sb(4) is bonded in a distorted L-shaped geometry to one Se(2) and one Se(4) atom. In the fifth Sb site, Sb(5) is bonded in a 3-coordinate geometry to one Se(4) and two equivalent Se(5) atoms. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted water-like geometry to one Sb(1) and one Sb(3) atom. In the second Se site, Se(2) is bonded in a water-like geometry to one Sb(1) and one Sb(4) atom. In the third Se site, Se(3) is bonded in a distorted water-like geometry to one Sb(2) and one Sb(3) atom. In the fourth Se site, Se(4) is bonded in a trigonal non-coplanar geometry to one Sb(2), one Sb(4), and one Sb(5) atom. In the fifth Se site, Se(5) is bonded in an L-shaped geometry to two equivalent Sb(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlSb5Se5Cl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.702
_cell_length_b   9.839
_cell_length_c   11.946
_cell_angle_alpha   104.072
_cell_angle_beta   110.256
_cell_angle_gamma   99.741
_symmetry_Int_Tables_number   1
_cell_volume   996.697
_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
  Al  Al0  1  0.926  0.623  0.300  1.0
  Al  Al1  1  0.074  0.377  0.700  1.0
  Sb  Sb2  1  0.781  0.233  0.939  1.0
  Sb  Sb3  1  0.219  0.767  0.061  1.0
  Sb  Sb4  1  0.905  0.025  0.809  1.0
  Sb  Sb5  1  0.095  0.975  0.191  1.0
  Sb  Sb6  1  0.578  0.814  0.915  1.0
  Sb  Sb7  1  0.422  0.186  0.085  1.0
  Sb  Sb8  1  0.425  0.881  0.685  1.0
  Sb  Sb9  1  0.575  0.119  0.315  1.0
  Sb  Sb10  1  0.702  0.623  0.585  1.0
  Sb  Sb11  1  0.298  0.377  0.415  1.0
  Se  Se12  1  0.720  0.078  0.076  1.0
  Se  Se13  1  0.280  0.922  0.924  1.0
  Se  Se14  1  0.502  0.162  0.773  1.0
  Se  Se15  1  0.498  0.838  0.227  1.0
  Se  Se16  1  0.845  0.806  0.889  1.0
  Se  Se17  1  0.155  0.194  0.111  1.0
  Se  Se18  1  0.643  0.889  0.596  1.0
  Se  Se19  1  0.357  0.111  0.404  1.0
  Se  Se20  1  0.496  0.514  0.655  1.0
  Se  Se21  1  0.504  0.486  0.345  1.0
  Cl  Cl22  1  0.161  0.674  0.317  1.0
  Cl  Cl23  1  0.839  0.326  0.683  1.0
  Cl  Cl24  1  0.905  0.795  0.439  1.0
  Cl  Cl25  1  0.095  0.205  0.561  1.0
  Cl  Cl26  1  0.876  0.415  0.330  1.0
  Cl  Cl27  1  0.124  0.585  0.670  1.0
  Cl  Cl28  1  0.773  0.607  0.114  1.0
  Cl  Cl29  1  0.227  0.393  0.886  1.0
[/CIF]
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The crystal structure described by AlCl4(SbSe)5 is Indium-derived structured and crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of two AlCl4 clusters and one SbSe cluster. In each AlCl4 cluster, Al(1) is bonded in a tetrahedral geometry to one Cl(1), one Cl(2), one Cl(3), and one Cl(4) atom. There are four inequivalent Cl sites. In the first Cl site, Cl(1) is bonded in a single-bond geometry to one Al(1) atom. In the second Cl site, Cl(2) is bonded in a single-bond geometry to one Al(1) atom. In the third Cl site, Cl(3) is bonded in a single-bond geometry to one Al(1) atom. In the fourth Cl site, Cl(4) is bonded in a single-bond geometry to one Al(1) atom. In the SbSe cluster, there are five inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a distorted L-shaped geometry to one Se(1) and one Se(2) atom. In the second Sb site, Sb(2) is bonded in a distorted L-shaped geometry to one Se(3) and one Se(4) atom. In the third Sb site, Sb(3) is bonded in a distorted L-shaped geometry to one Se(1) and one Se(3) atom. In the fourth Sb site, Sb(4) is bonded in a distorted L-shaped geometry to one Se(2) and one Se(4) atom. In the fifth Sb site, Sb(5) is bonded in a 3-coordinate geometry to one Se(4) and two equivalent Se(5) atoms. There are five inequivalent Se sites. In the first Se site, Se(1) is bonded in a distorted water-like geometry to one Sb(1) and one Sb(3) atom. In the second Se site, Se(2) is bonded in a water-like geometry to one Sb(1) and one Sb(4) atom. In the third Se site, Se(3) is bonded in a distorted water-like geometry to one Sb(2) and one Sb(3) atom. In the fourth Se site, Se(4) is bonded in a trigonal non-coplanar geometry to one Sb(2), one Sb(4), and one Sb(5) atom. In the fifth Se site, Se(5) is bonded in an L-shaped geometry to two equivalent Sb(5) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_AlSb5Se5Cl4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.702
_cell_length_b   9.839
_cell_length_c   11.946
_cell_angle_alpha   104.072
_cell_angle_beta   110.256
_cell_angle_gamma   99.741
_symmetry_Int_Tables_number   1
_cell_volume   996.697
_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
  Al  Al0  1  0.926  0.623  0.300  1.0
  Al  Al1  1  0.074  0.377  0.700  1.0
  Sb  Sb2  1  0.781  0.233  0.939  1.0
  Sb  Sb3  1  0.219  0.767  0.061  1.0
  Sb  Sb4  1  0.905  0.025  0.809  1.0
  Sb  Sb5  1  0.095  0.975  0.191  1.0
  Sb  Sb6  1  0.578  0.814  0.915  1.0
  Sb  Sb7  1  0.422  0.186  0.085  1.0
  Sb  Sb8  1  0.425  0.881  0.685  1.0
  Sb  Sb9  1  0.575  0.119  0.315  1.0
  Sb  Sb10  1  0.702  0.623  0.585  1.0
  Sb  Sb11  1  0.298  0.377  0.415  1.0
  Se  Se12  1  0.720  0.078  0.076  1.0
  Se  Se13  1  0.280  0.922  0.924  1.0
  Se  Se14  1  0.502  0.162  0.773  1.0
  Se  Se15  1  0.498  0.838  0.227  1.0
  Se  Se16  1  0.845  0.806  0.889  1.0
  Se  Se17  1  0.155  0.194  0.111  1.0
  Se  Se18  1  0.643  0.889  0.596  1.0
  Se  Se19  1  0.357  0.111  0.404  1.0
  Se  Se20  1  0.496  0.514  0.655  1.0
  Se  Se21  1  0.504  0.486  0.345  1.0
  Cl  Cl22  1  0.161  0.674  0.317  1.0
  Cl  Cl23  1  0.839  0.326  0.683  1.0
  Cl  Cl24  1  0.905  0.795  0.439  1.0
  Cl  Cl25  1  0.095  0.205  0.561  1.0
  Cl  Cl26  1  0.876  0.415  0.330  1.0
  Cl  Cl27  1  0.124  0.585  0.670  1.0
  Cl  Cl28  1  0.773  0.607  0.114  1.0
  Cl  Cl29  1  0.227  0.393  0.886  1.0
[/CIF]
.