The structure described by Al5S8 is beta indium sulfide-like structured and crystallizes in the cubic F-43m space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form AlS6 octahedra that share corners with three equivalent Al(2)S4 tetrahedra and edges with six equivalent Al(1)S6 octahedra. In the second Al site, Al(2) is bonded to four equivalent S(2) atoms to form corner-sharing AlS4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent S sites. In the first S site, S(2) is bonded to one Al(2) and three equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing SAl4 tetrahedra. In the second S site, S(1) is bonded in a distorted T-shaped geometry to three equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Al5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.981
_cell_length_b   6.981
_cell_length_c   6.981
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   240.603
_cell_formula_units_Z   1
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  0.633  0.633  0.101  1.0
  Al  Al1  1  0.633  0.101  0.633  1.0
  Al  Al2  1  0.101  0.633  0.633  1.0
  Al  Al3  1  0.633  0.633  0.633  1.0
  Al  Al4  1  0.250  0.250  0.250  1.0
  S  S5  1  0.871  0.871  0.387  1.0
  S  S6  1  0.871  0.387  0.871  1.0
  S  S7  1  0.387  0.871  0.871  1.0
  S  S8  1  0.871  0.871  0.871  1.0
  S  S9  1  0.383  0.383  0.850  1.0
  S  S10  1  0.383  0.850  0.383  1.0
  S  S11  1  0.850  0.383  0.383  1.0
  S  S12  1  0.383  0.383  0.383  1.0
[/CIF]
.
The structure described by Al5S8 is beta indium sulfide-like structured and crystallizes in the cubic F-43m space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form AlS6 octahedra that share corners with three equivalent Al(2)S4 tetrahedra and edges with six equivalent Al(1)S6 octahedra. In the second Al site, Al(2) is bonded to four equivalent S(2) atoms to form corner-sharing AlS4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. There are two inequivalent S sites. In the first S site, S(2) is bonded to one Al(2) and three equivalent Al(1) atoms to form a mixture of distorted corner and edge-sharing SAl4 tetrahedra. In the second S site, S(1) is bonded in a distorted T-shaped geometry to three equivalent Al(1) atoms. is represented by the CIF file [CIF]
data_Al5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.981
_cell_length_b   6.981
_cell_length_c   6.981
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   240.603
_cell_formula_units_Z   1
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  0.633  0.633  0.101  1.0
  Al  Al1  1  0.633  0.101  0.633  1.0
  Al  Al2  1  0.101  0.633  0.633  1.0
  Al  Al3  1  0.633  0.633  0.633  1.0
  Al  Al4  1  0.250  0.250  0.250  1.0
  S  S5  1  0.871  0.871  0.387  1.0
  S  S6  1  0.871  0.387  0.871  1.0
  S  S7  1  0.387  0.871  0.871  1.0
  S  S8  1  0.871  0.871  0.871  1.0
  S  S9  1  0.383  0.383  0.850  1.0
  S  S10  1  0.383  0.850  0.383  1.0
  S  S11  1  0.850  0.383  0.383  1.0
  S  S12  1  0.383  0.383  0.383  1.0
[/CIF]
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