The material described by LiSbS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six S(1,1) atoms to form LiS6 octahedra that share corners with two equivalent Sb(1)S6 octahedra, corners with four equivalent Li(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with eight equivalent Sb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Sb(1) is bonded to six S(1,1) atoms to form SbS6 octahedra that share corners with two equivalent Li(1)S6 octahedra, corners with four equivalent Sb(1)S6 octahedra, edges with four equivalent Sb(1)S6 octahedra, and edges with eight equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Li(1) and three equivalent Sb(1) atoms to form a mixture of edge and corner-sharing SLi3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second S site, S(1) is bonded to three equivalent Li(1) and three equivalent Sb(1) atoms to form a mixture of edge and corner-sharing SLi3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third S site, S(1) is bonded to three equivalent Li(1) and three equivalent Sb(1) atoms to form a mixture of edge and corner-sharing SLi3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth S site, S(1) is bonded to three equivalent Li(1) and three equivalent Sb(1) atoms to form a mixture of edge and corner-sharing SLi3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_LiSbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.731
_cell_length_b   6.731
_cell_length_c   6.731
_cell_angle_alpha   132.403
_cell_angle_beta   132.403
_cell_angle_gamma   69.593
_symmetry_Int_Tables_number   1
_cell_volume   163.126
_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
  Li  Li0  1  0.250  0.750  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Sb  Sb2  1  0.000  0.000  0.000  1.0
  Sb  Sb3  1  0.750  0.250  0.500  1.0
  S  S4  1  0.999  0.499  0.500  1.0
  S  S5  1  0.751  0.751  0.000  1.0
  S  S6  1  0.501  0.001  0.500  1.0
  S  S7  1  0.249  0.249  0.000  1.0
[/CIF]
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The material described by LiSbS2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six S(1,1) atoms to form LiS6 octahedra that share corners with two equivalent Sb(1)S6 octahedra, corners with four equivalent Li(1)S6 octahedra, edges with four equivalent Li(1)S6 octahedra, and edges with eight equivalent Sb(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Sb(1) is bonded to six S(1,1) atoms to form SbS6 octahedra that share corners with two equivalent Li(1)S6 octahedra, corners with four equivalent Sb(1)S6 octahedra, edges with four equivalent Sb(1)S6 octahedra, and edges with eight equivalent Li(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are four inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Li(1) and three equivalent Sb(1) atoms to form a mixture of edge and corner-sharing SLi3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second S site, S(1) is bonded to three equivalent Li(1) and three equivalent Sb(1) atoms to form a mixture of edge and corner-sharing SLi3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third S site, S(1) is bonded to three equivalent Li(1) and three equivalent Sb(1) atoms to form a mixture of edge and corner-sharing SLi3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth S site, S(1) is bonded to three equivalent Li(1) and three equivalent Sb(1) atoms to form a mixture of edge and corner-sharing SLi3Sb3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. is represented by the CIF card [CIF]
data_LiSbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.731
_cell_length_b   6.731
_cell_length_c   6.731
_cell_angle_alpha   132.403
_cell_angle_beta   132.403
_cell_angle_gamma   69.593
_symmetry_Int_Tables_number   1
_cell_volume   163.126
_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
  Li  Li0  1  0.250  0.750  0.500  1.0
  Li  Li1  1  0.500  0.500  0.000  1.0
  Sb  Sb2  1  0.000  0.000  0.000  1.0
  Sb  Sb3  1  0.750  0.250  0.500  1.0
  S  S4  1  0.999  0.499  0.500  1.0
  S  S5  1  0.751  0.751  0.000  1.0
  S  S6  1  0.501  0.001  0.500  1.0
  S  S7  1  0.249  0.249  0.000  1.0
[/CIF]
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