The structure described by Li5SbS4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1) and three equivalent S(2) atoms to form distorted LiS4 tetrahedra that share  a cornercorner with one Sb(1)S6 octahedra, corners with ten equivalent Li(1)S4 tetrahedra, edges with two equivalent Sb(1)S6 octahedra, and edges with three equivalent Li(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent S(1) atoms. Sb(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SbS6 octahedra that share corners with four equivalent Li(1)S4 tetrahedra, edges with two equivalent Sb(1)S6 octahedra, and edges 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), two equivalent Li(2), and two equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing SLi4Sb2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded in a 7-coordinate geometry to six equivalent Li(1) and one Sb(1) atom. is represented by the CIF card [CIF]
data_Li5SbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.874
_cell_length_b   7.874
_cell_length_c   7.874
_cell_angle_alpha   151.208
_cell_angle_beta   126.049
_cell_angle_gamma   62.300
_symmetry_Int_Tables_number   1
_cell_volume   188.467
_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  0.394  0.176  0.217  1.0
  Li  Li1  1  0.959  0.176  0.783  1.0
  Li  Li2  1  0.041  0.824  0.217  1.0
  Li  Li3  1  0.606  0.824  0.783  1.0
  Li  Li4  1  0.500  0.500  0.000  1.0
  Sb  Sb5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.730  0.000  0.730  1.0
  S  S7  1  0.210  0.710  0.500  1.0
  S  S8  1  0.790  0.290  0.500  1.0
  S  S9  1  0.270  0.000  0.270  1.0
[/CIF]
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The structure described by Li5SbS4 crystallizes in the orthorhombic Immm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(1) and three equivalent S(2) atoms to form distorted LiS4 tetrahedra that share  a cornercorner with one Sb(1)S6 octahedra, corners with ten equivalent Li(1)S4 tetrahedra, edges with two equivalent Sb(1)S6 octahedra, and edges with three equivalent Li(1)S4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the second Li site, Li(2) is bonded in a square co-planar geometry to four equivalent S(1) atoms. Sb(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SbS6 octahedra that share corners with four equivalent Li(1)S4 tetrahedra, edges with two equivalent Sb(1)S6 octahedra, and edges 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), two equivalent Li(2), and two equivalent Sb(1) atoms to form a mixture of distorted edge and corner-sharing SLi4Sb2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded in a 7-coordinate geometry to six equivalent Li(1) and one Sb(1) atom. is represented by the CIF card [CIF]
data_Li5SbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.874
_cell_length_b   7.874
_cell_length_c   7.874
_cell_angle_alpha   151.208
_cell_angle_beta   126.049
_cell_angle_gamma   62.300
_symmetry_Int_Tables_number   1
_cell_volume   188.467
_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  0.394  0.176  0.217  1.0
  Li  Li1  1  0.959  0.176  0.783  1.0
  Li  Li2  1  0.041  0.824  0.217  1.0
  Li  Li3  1  0.606  0.824  0.783  1.0
  Li  Li4  1  0.500  0.500  0.000  1.0
  Sb  Sb5  1  0.000  0.500  0.500  1.0
  S  S6  1  0.730  0.000  0.730  1.0
  S  S7  1  0.210  0.710  0.500  1.0
  S  S8  1  0.790  0.290  0.500  1.0
  S  S9  1  0.270  0.000  0.270  1.0
[/CIF]
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