The structure described by LiSmS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form LiS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with eight equivalent Sm(1)S6 octahedra. The corner-sharing octahedra are not tilted. Sm(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SmS6 octahedra that share corners with six equivalent Sm(1)S6 octahedra, edges with four equivalent Sm(1)S6 octahedra, and edges with eight equivalent Li(1)S6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Li(1) and four equivalent Sm(1) atoms to form SLi2Sm4 octahedra that share corners with six equivalent S(1)Li2Sm4 octahedra, edges with four equivalent S(1)Li2Sm4 octahedra, and edges with eight equivalent S(2)Li4Sm2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to four equivalent Li(1) and two equivalent Sm(1) atoms to form SLi4Sm2 octahedra that share corners with six equivalent S(2)Li4Sm2 octahedra, edges with four equivalent S(2)Li4Sm2 octahedra, and edges with eight equivalent S(1)Li2Sm4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_LiSmS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.000
_cell_length_b   4.000
_cell_length_c   5.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   87.078
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Sm  Sm1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.500  0.500  0.000  1.0
[/CIF]
.
The structure described by LiSmS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Li(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form LiS6 octahedra that share corners with six equivalent Li(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with eight equivalent Sm(1)S6 octahedra. The corner-sharing octahedra are not tilted. Sm(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SmS6 octahedra that share corners with six equivalent Sm(1)S6 octahedra, edges with four equivalent Sm(1)S6 octahedra, and edges with eight equivalent Li(1)S6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Li(1) and four equivalent Sm(1) atoms to form SLi2Sm4 octahedra that share corners with six equivalent S(1)Li2Sm4 octahedra, edges with four equivalent S(1)Li2Sm4 octahedra, and edges with eight equivalent S(2)Li4Sm2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to four equivalent Li(1) and two equivalent Sm(1) atoms to form SLi4Sm2 octahedra that share corners with six equivalent S(2)Li4Sm2 octahedra, edges with four equivalent S(2)Li4Sm2 octahedra, and edges with eight equivalent S(1)Li2Sm4 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_LiSmS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.000
_cell_length_b   4.000
_cell_length_c   5.441
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   87.078
_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
  Li  Li0  1  0.000  0.000  0.000  1.0
  Sm  Sm1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.500  0.500  0.000  1.0
[/CIF]
.