The compound described by LiAlS2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form LiS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra and corners with eight equivalent Al(1)S4 tetrahedra. Al(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form AlS4 tetrahedra that share corners with four equivalent Al(1)S4 tetrahedra and corners with eight equivalent Li(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Li(1) and two equivalent Al(1) atoms to form corner-sharing SLi2Al2 tetrahedra. In the second S site, S(2) is bonded to two equivalent Li(1) and two equivalent Al(1) atoms to form corner-sharing SLi2Al2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAlS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.205
_cell_length_b   6.496
_cell_length_c   7.856
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.621
_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
  Li  Li0  1  0.118  0.917  0.378  1.0
  Li  Li1  1  0.618  0.083  0.622  1.0
  Li  Li2  1  0.618  0.583  0.878  1.0
  Li  Li3  1  0.118  0.417  0.122  1.0
  Al  Al4  1  0.621  0.574  0.374  1.0
  Al  Al5  1  0.121  0.426  0.626  1.0
  Al  Al6  1  0.121  0.926  0.874  1.0
  Al  Al7  1  0.621  0.074  0.126  1.0
  S  S8  1  0.985  0.564  0.386  1.0
  S  S9  1  0.485  0.436  0.614  1.0
  S  S10  1  0.485  0.936  0.886  1.0
  S  S11  1  0.985  0.064  0.114  1.0
  S  S12  1  0.010  0.595  0.861  1.0
  S  S13  1  0.510  0.405  0.139  1.0
  S  S14  1  0.510  0.905  0.361  1.0
  S  S15  1  0.010  0.095  0.639  1.0
[/CIF]
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The compound described by LiAlS2 is Enargite-like structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form LiS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra and corners with eight equivalent Al(1)S4 tetrahedra. Al(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form AlS4 tetrahedra that share corners with four equivalent Al(1)S4 tetrahedra and corners with eight equivalent Li(1)S4 tetrahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Li(1) and two equivalent Al(1) atoms to form corner-sharing SLi2Al2 tetrahedra. In the second S site, S(2) is bonded to two equivalent Li(1) and two equivalent Al(1) atoms to form corner-sharing SLi2Al2 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiAlS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.205
_cell_length_b   6.496
_cell_length_c   7.856
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   316.621
_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
  Li  Li0  1  0.118  0.917  0.378  1.0
  Li  Li1  1  0.618  0.083  0.622  1.0
  Li  Li2  1  0.618  0.583  0.878  1.0
  Li  Li3  1  0.118  0.417  0.122  1.0
  Al  Al4  1  0.621  0.574  0.374  1.0
  Al  Al5  1  0.121  0.426  0.626  1.0
  Al  Al6  1  0.121  0.926  0.874  1.0
  Al  Al7  1  0.621  0.074  0.126  1.0
  S  S8  1  0.985  0.564  0.386  1.0
  S  S9  1  0.485  0.436  0.614  1.0
  S  S10  1  0.485  0.936  0.886  1.0
  S  S11  1  0.985  0.064  0.114  1.0
  S  S12  1  0.010  0.595  0.861  1.0
  S  S13  1  0.510  0.405  0.139  1.0
  S  S14  1  0.510  0.905  0.361  1.0
  S  S15  1  0.010  0.095  0.639  1.0
[/CIF]
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