The crystal structure described by Al2S3 is beta indium sulfide structured and crystallizes in the tetragonal I4_1/amd space group. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form corner-sharing AlS4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the second Al site, Al(2) is bonded to one S(1), two equivalent S(3), and three equivalent S(2) atoms to form AlS6 octahedra that share corners with four equivalent Al(1)S4 tetrahedra, edges with two equivalent Al(3)S6 octahedra, and edges with four equivalent Al(2)S6 octahedra. In the third Al site, Al(3) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form AlS6 octahedra that share corners with four equivalent Al(1)S4 tetrahedra, edges with two equivalent Al(3)S6 octahedra, and edges with four equivalent Al(2)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Al(1), one Al(2), and two equivalent Al(3) atoms. In the second S site, S(2) is bonded to one Al(1) and three equivalent Al(2) atoms to form a mixture of distorted edge and corner-sharing SAl4 tetrahedra. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Al(3) and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Al2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.044
_cell_length_b   21.143
_cell_length_c   18.649
_cell_angle_alpha   19.096
_cell_angle_beta   55.485
_cell_angle_gamma   60.013
_symmetry_Int_Tables_number   1
_cell_volume   742.180
_cell_formula_units_Z   8
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  0.989  0.997  0.011  1.0
  Al  Al1  1  0.011  0.337  0.989  1.0
  Al  Al2  1  0.621  0.103  0.150  1.0
  Al  Al3  1  0.239  0.247  0.261  1.0
  Al  Al4  1  0.100  0.124  0.630  1.0
  Al  Al5  1  0.630  0.481  0.100  1.0
  Al  Al6  1  0.261  0.587  0.239  1.0
  Al  Al7  1  0.150  0.460  0.620  1.0
  Al  Al8  1  0.641  0.124  0.630  1.0
  Al  Al9  1  0.625  0.292  0.625  1.0
  Al  Al10  1  0.625  0.792  0.125  1.0
  Al  Al11  1  0.125  0.792  0.625  1.0
  Al  Al12  1  0.609  0.460  0.620  1.0
  Al  Al13  1  0.621  0.644  0.609  1.0
  Al  Al14  1  0.625  0.792  0.625  1.0
  Al  Al15  1  0.630  0.939  0.641  1.0
  S  S16  1  0.377  0.035  0.381  1.0
  S  S17  1  0.384  0.205  0.386  1.0
  S  S18  1  0.874  0.034  0.384  1.0
  S  S19  1  0.386  0.359  0.384  1.0
  S  S20  1  0.845  0.205  0.386  1.0
  S  S21  1  0.381  0.541  0.376  1.0
  S  S22  1  0.384  0.042  0.874  1.0
  S  S23  1  0.391  0.227  0.846  1.0
  S  S24  1  0.859  0.357  0.404  1.0
  S  S25  1  0.391  0.701  0.372  1.0
  S  S26  1  0.869  0.042  0.874  1.0
  S  S27  1  0.867  0.541  0.376  1.0
  S  S28  1  0.372  0.870  0.391  1.0
  S  S29  1  0.405  0.379  0.864  1.0
  S  S30  1  0.377  0.550  0.866  1.0
  S  S31  1  0.864  0.224  0.866  1.0
  S  S32  1  0.864  0.686  0.405  1.0
  S  S33  1  0.867  0.379  0.864  1.0
  S  S34  1  0.846  0.870  0.391  1.0
  S  S35  1  0.404  0.714  0.859  1.0
  S  S36  1  0.874  0.549  0.869  1.0
  S  S37  1  0.386  0.898  0.845  1.0
  S  S38  1  0.878  0.714  0.859  1.0
  S  S39  1  0.859  0.883  0.878  1.0
[/CIF]
.
The crystal structure described by Al2S3 is beta indium sulfide structured and crystallizes in the tetragonal I4_1/amd space group. There are three inequivalent Al sites. In the first Al site, Al(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form corner-sharing AlS4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-63°. In the second Al site, Al(2) is bonded to one S(1), two equivalent S(3), and three equivalent S(2) atoms to form AlS6 octahedra that share corners with four equivalent Al(1)S4 tetrahedra, edges with two equivalent Al(3)S6 octahedra, and edges with four equivalent Al(2)S6 octahedra. In the third Al site, Al(3) is bonded to two equivalent S(3) and four equivalent S(1) atoms to form AlS6 octahedra that share corners with four equivalent Al(1)S4 tetrahedra, edges with two equivalent Al(3)S6 octahedra, and edges with four equivalent Al(2)S6 octahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a rectangular see-saw-like geometry to one Al(1), one Al(2), and two equivalent Al(3) atoms. In the second S site, S(2) is bonded to one Al(1) and three equivalent Al(2) atoms to form a mixture of distorted edge and corner-sharing SAl4 tetrahedra. In the third S site, S(3) is bonded in a distorted T-shaped geometry to one Al(3) and two equivalent Al(2) atoms. is represented by the CIF card [CIF]
data_Al2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.044
_cell_length_b   21.143
_cell_length_c   18.649
_cell_angle_alpha   19.096
_cell_angle_beta   55.485
_cell_angle_gamma   60.013
_symmetry_Int_Tables_number   1
_cell_volume   742.180
_cell_formula_units_Z   8
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  0.989  0.997  0.011  1.0
  Al  Al1  1  0.011  0.337  0.989  1.0
  Al  Al2  1  0.621  0.103  0.150  1.0
  Al  Al3  1  0.239  0.247  0.261  1.0
  Al  Al4  1  0.100  0.124  0.630  1.0
  Al  Al5  1  0.630  0.481  0.100  1.0
  Al  Al6  1  0.261  0.587  0.239  1.0
  Al  Al7  1  0.150  0.460  0.620  1.0
  Al  Al8  1  0.641  0.124  0.630  1.0
  Al  Al9  1  0.625  0.292  0.625  1.0
  Al  Al10  1  0.625  0.792  0.125  1.0
  Al  Al11  1  0.125  0.792  0.625  1.0
  Al  Al12  1  0.609  0.460  0.620  1.0
  Al  Al13  1  0.621  0.644  0.609  1.0
  Al  Al14  1  0.625  0.792  0.625  1.0
  Al  Al15  1  0.630  0.939  0.641  1.0
  S  S16  1  0.377  0.035  0.381  1.0
  S  S17  1  0.384  0.205  0.386  1.0
  S  S18  1  0.874  0.034  0.384  1.0
  S  S19  1  0.386  0.359  0.384  1.0
  S  S20  1  0.845  0.205  0.386  1.0
  S  S21  1  0.381  0.541  0.376  1.0
  S  S22  1  0.384  0.042  0.874  1.0
  S  S23  1  0.391  0.227  0.846  1.0
  S  S24  1  0.859  0.357  0.404  1.0
  S  S25  1  0.391  0.701  0.372  1.0
  S  S26  1  0.869  0.042  0.874  1.0
  S  S27  1  0.867  0.541  0.376  1.0
  S  S28  1  0.372  0.870  0.391  1.0
  S  S29  1  0.405  0.379  0.864  1.0
  S  S30  1  0.377  0.550  0.866  1.0
  S  S31  1  0.864  0.224  0.866  1.0
  S  S32  1  0.864  0.686  0.405  1.0
  S  S33  1  0.867  0.379  0.864  1.0
  S  S34  1  0.846  0.870  0.391  1.0
  S  S35  1  0.404  0.714  0.859  1.0
  S  S36  1  0.874  0.549  0.869  1.0
  S  S37  1  0.386  0.898  0.845  1.0
  S  S38  1  0.878  0.714  0.859  1.0
  S  S39  1  0.859  0.883  0.878  1.0
[/CIF]
.