The structure described by LiSbS2 crystallizes in the trigonal R-3 space group. Li(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing LiS6 octahedra. The corner-sharing octahedral tilt angles are 20°. Sb(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Li(1) and two equivalent Sb(1) atoms. In the second S site, S(2) is bonded to three equivalent Li(1) and two equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing SLi3Sb2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.639
_cell_length_b   8.639
_cell_length_c   8.639
_cell_angle_alpha   107.797
_cell_angle_beta   107.797
_cell_angle_gamma   107.797
_symmetry_Int_Tables_number   1
_cell_volume   524.853
_cell_formula_units_Z   6
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  0.252  0.085  0.689  1.0
  Li  Li1  1  0.748  0.915  0.311  1.0
  Li  Li2  1  0.915  0.311  0.748  1.0
  Li  Li3  1  0.311  0.748  0.915  1.0
  Li  Li4  1  0.085  0.689  0.252  1.0
  Li  Li5  1  0.689  0.252  0.085  1.0
  Sb  Sb6  1  0.441  0.147  0.373  1.0
  Sb  Sb7  1  0.147  0.373  0.441  1.0
  Sb  Sb8  1  0.373  0.441  0.147  1.0
  Sb  Sb9  1  0.559  0.853  0.627  1.0
  Sb  Sb10  1  0.853  0.627  0.559  1.0
  Sb  Sb11  1  0.627  0.559  0.853  1.0
  S  S12  1  0.742  0.588  0.158  1.0
  S  S13  1  0.158  0.742  0.588  1.0
  S  S14  1  0.412  0.842  0.258  1.0
  S  S15  1  0.588  0.158  0.742  1.0
  S  S16  1  0.258  0.412  0.842  1.0
  S  S17  1  0.842  0.258  0.412  1.0
  S  S18  1  0.638  0.864  0.945  1.0
  S  S19  1  0.945  0.638  0.864  1.0
  S  S20  1  0.864  0.945  0.638  1.0
  S  S21  1  0.362  0.136  0.055  1.0
  S  S22  1  0.055  0.362  0.136  1.0
  S  S23  1  0.136  0.055  0.362  1.0
[/CIF]
.
The structure described by LiSbS2 crystallizes in the trigonal R-3 space group. Li(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form a mixture of distorted edge and corner-sharing LiS6 octahedra. The corner-sharing octahedral tilt angles are 20°. Sb(1) is bonded in a 4-coordinate geometry to two equivalent S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to three equivalent Li(1) and two equivalent Sb(1) atoms. In the second S site, S(2) is bonded to three equivalent Li(1) and two equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing SLi3Sb2 square pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiSbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.639
_cell_length_b   8.639
_cell_length_c   8.639
_cell_angle_alpha   107.797
_cell_angle_beta   107.797
_cell_angle_gamma   107.797
_symmetry_Int_Tables_number   1
_cell_volume   524.853
_cell_formula_units_Z   6
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  0.252  0.085  0.689  1.0
  Li  Li1  1  0.748  0.915  0.311  1.0
  Li  Li2  1  0.915  0.311  0.748  1.0
  Li  Li3  1  0.311  0.748  0.915  1.0
  Li  Li4  1  0.085  0.689  0.252  1.0
  Li  Li5  1  0.689  0.252  0.085  1.0
  Sb  Sb6  1  0.441  0.147  0.373  1.0
  Sb  Sb7  1  0.147  0.373  0.441  1.0
  Sb  Sb8  1  0.373  0.441  0.147  1.0
  Sb  Sb9  1  0.559  0.853  0.627  1.0
  Sb  Sb10  1  0.853  0.627  0.559  1.0
  Sb  Sb11  1  0.627  0.559  0.853  1.0
  S  S12  1  0.742  0.588  0.158  1.0
  S  S13  1  0.158  0.742  0.588  1.0
  S  S14  1  0.412  0.842  0.258  1.0
  S  S15  1  0.588  0.158  0.742  1.0
  S  S16  1  0.258  0.412  0.842  1.0
  S  S17  1  0.842  0.258  0.412  1.0
  S  S18  1  0.638  0.864  0.945  1.0
  S  S19  1  0.945  0.638  0.864  1.0
  S  S20  1  0.864  0.945  0.638  1.0
  S  S21  1  0.362  0.136  0.055  1.0
  S  S22  1  0.055  0.362  0.136  1.0
  S  S23  1  0.136  0.055  0.362  1.0
[/CIF]
.