The material structure described by Al2S3 crystallizes in the monoclinic Cc space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form corner-sharing AlS4 tetrahedra. In the second Al site, Al(2) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form corner-sharing AlS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Al(2) and two equivalent Al(1) atoms. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Al(1) and two equivalent Al(2) atoms. In the third S site, S(3) is bonded in a water-like geometry to one Al(1) and one Al(2) atom. is represented by the CIF card [CIF]
data_Al2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.488
_cell_length_b   6.488
_cell_length_c   7.024
_cell_angle_alpha   63.096
_cell_angle_beta   63.096
_cell_angle_gamma   59.715
_symmetry_Int_Tables_number   1
_cell_volume   217.812
_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  0.181  0.988  0.496  1.0
  Al  Al1  1  0.810  0.674  0.510  1.0
  Al  Al2  1  0.988  0.181  0.996  1.0
  Al  Al3  1  0.674  0.810  0.010  1.0
  S  S4  1  0.297  0.120  0.114  1.0
  S  S5  1  0.957  0.800  0.126  1.0
  S  S6  1  0.635  0.454  0.129  1.0
  S  S7  1  0.120  0.297  0.614  1.0
  S  S8  1  0.800  0.957  0.626  1.0
  S  S9  1  0.454  0.635  0.629  1.0
[/CIF]
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The material structure described by Al2S3 crystallizes in the monoclinic Cc space group. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one S(2), one S(3), and two equivalent S(1) atoms to form corner-sharing AlS4 tetrahedra. In the second Al site, Al(2) is bonded to one S(1), one S(3), and two equivalent S(2) atoms to form corner-sharing AlS4 tetrahedra. There are three inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one Al(2) and two equivalent Al(1) atoms. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one Al(1) and two equivalent Al(2) atoms. In the third S site, S(3) is bonded in a water-like geometry to one Al(1) and one Al(2) atom. is represented by the CIF card [CIF]
data_Al2S3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.488
_cell_length_b   6.488
_cell_length_c   7.024
_cell_angle_alpha   63.096
_cell_angle_beta   63.096
_cell_angle_gamma   59.715
_symmetry_Int_Tables_number   1
_cell_volume   217.812
_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  0.181  0.988  0.496  1.0
  Al  Al1  1  0.810  0.674  0.510  1.0
  Al  Al2  1  0.988  0.181  0.996  1.0
  Al  Al3  1  0.674  0.810  0.010  1.0
  S  S4  1  0.297  0.120  0.114  1.0
  S  S5  1  0.957  0.800  0.126  1.0
  S  S6  1  0.635  0.454  0.129  1.0
  S  S7  1  0.120  0.297  0.614  1.0
  S  S8  1  0.800  0.957  0.626  1.0
  S  S9  1  0.454  0.635  0.629  1.0
[/CIF]
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