The material structure described by Li5SbS crystallizes in the orthorhombic Pmma space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(2), four equivalent Li(3), and four equivalent Sb(1) atoms to form distorted LiLi8Sb4 cuboctahedra that share corners with four equivalent Li(1)Li8Sb4 cuboctahedra, corners with eight equivalent Li(2)Li2Sb2S2 tetrahedra, corners with eight equivalent Li(3)Li2Sb2S2 tetrahedra, edges with four equivalent Li(2)Li2Sb2S2 tetrahedra, edges with four equivalent Li(3)Li2Sb2S2 tetrahedra, faces with four equivalent Li(1)Li8Sb4 cuboctahedra, and faces with four equivalent Sb(1)Li12 cuboctahedra. In the second Li site, Li(2) is bonded to two equivalent Li(1), two equivalent Sb(1), and two equivalent S(1) atoms to form distorted LiLi2Sb2S2 tetrahedra that share corners with four equivalent Li(1)Li8Sb4 cuboctahedra, corners with four equivalent Sb(1)Li12 cuboctahedra, corners with four equivalent Li(3)Li2Sb2S2 tetrahedra, corners with eight equivalent Li(2)Li2Sb2S2 tetrahedra, edges with two equivalent Li(1)Li8Sb4 cuboctahedra, edges with two equivalent Sb(1)Li12 cuboctahedra, edges with three equivalent Li(2)Li2Sb2S2 tetrahedra, edges with four equivalent Li(3)Li2Sb2S2 tetrahedra,  a faceface with one Li(2)Li2Sb2S2 tetrahedra, and faces with four equivalent Li(3)Li2Sb2S2 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent Li(1), two equivalent Sb(1), and two equivalent S(1) atoms to form distorted LiLi2Sb2S2 tetrahedra that share corners with four equivalent Li(1)Li8Sb4 cuboctahedra, corners with four equivalent Sb(1)Li12 cuboctahedra, corners with four equivalent Li(2)Li2Sb2S2 tetrahedra, corners with eight equivalent Li(3)Li2Sb2S2 tetrahedra, edges with two equivalent Li(1)Li8Sb4 cuboctahedra, edges with two equivalent Sb(1)Li12 cuboctahedra, edges with three equivalent Li(3)Li2Sb2S2 tetrahedra, edges with four equivalent Li(2)Li2Sb2S2 tetrahedra,  a faceface with one Li(3)Li2Sb2S2 tetrahedra, and faces with four equivalent Li(2)Li2Sb2S2 tetrahedra. Sb(1) is bonded to four equivalent Li(1), four equivalent Li(2), and four equivalent Li(3) atoms to form SbLi12 cuboctahedra that share corners with four equivalent Sb(1)Li12 cuboctahedra, corners with eight equivalent Li(2)Li2Sb2S2 tetrahedra, corners with eight equivalent Li(3)Li2Sb2S2 tetrahedra, edges with four equivalent Li(2)Li2Sb2S2 tetrahedra, edges with four equivalent Li(3)Li2Sb2S2 tetrahedra, faces with four equivalent Li(1)Li8Sb4 cuboctahedra, and faces with four equivalent Sb(1)Li12 cuboctahedra. S(1) is bonded in a body-centered cubic geometry to four equivalent Li(2) and four equivalent Li(3) atoms. is represented by the CIF card [CIF]
data_Li5SbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.306
_cell_length_b   4.308
_cell_length_c   6.411
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.922
_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  0.500  0.500  1.0
  Li  Li1  1  0.000  1.000  0.213  1.0
  Li  Li2  1  0.000  -0.000  0.787  1.0
  Li  Li3  1  0.500  0.500  0.787  1.0
  Li  Li4  1  0.500  0.500  0.213  1.0
  S  S5  1  0.000  0.500  0.000  1.0
  Sb  Sb6  1  0.500  1.000  0.500  1.0
[/CIF]
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The material structure described by Li5SbS crystallizes in the orthorhombic Pmma space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to four equivalent Li(2), four equivalent Li(3), and four equivalent Sb(1) atoms to form distorted LiLi8Sb4 cuboctahedra that share corners with four equivalent Li(1)Li8Sb4 cuboctahedra, corners with eight equivalent Li(2)Li2Sb2S2 tetrahedra, corners with eight equivalent Li(3)Li2Sb2S2 tetrahedra, edges with four equivalent Li(2)Li2Sb2S2 tetrahedra, edges with four equivalent Li(3)Li2Sb2S2 tetrahedra, faces with four equivalent Li(1)Li8Sb4 cuboctahedra, and faces with four equivalent Sb(1)Li12 cuboctahedra. In the second Li site, Li(2) is bonded to two equivalent Li(1), two equivalent Sb(1), and two equivalent S(1) atoms to form distorted LiLi2Sb2S2 tetrahedra that share corners with four equivalent Li(1)Li8Sb4 cuboctahedra, corners with four equivalent Sb(1)Li12 cuboctahedra, corners with four equivalent Li(3)Li2Sb2S2 tetrahedra, corners with eight equivalent Li(2)Li2Sb2S2 tetrahedra, edges with two equivalent Li(1)Li8Sb4 cuboctahedra, edges with two equivalent Sb(1)Li12 cuboctahedra, edges with three equivalent Li(2)Li2Sb2S2 tetrahedra, edges with four equivalent Li(3)Li2Sb2S2 tetrahedra,  a faceface with one Li(2)Li2Sb2S2 tetrahedra, and faces with four equivalent Li(3)Li2Sb2S2 tetrahedra. In the third Li site, Li(3) is bonded to two equivalent Li(1), two equivalent Sb(1), and two equivalent S(1) atoms to form distorted LiLi2Sb2S2 tetrahedra that share corners with four equivalent Li(1)Li8Sb4 cuboctahedra, corners with four equivalent Sb(1)Li12 cuboctahedra, corners with four equivalent Li(2)Li2Sb2S2 tetrahedra, corners with eight equivalent Li(3)Li2Sb2S2 tetrahedra, edges with two equivalent Li(1)Li8Sb4 cuboctahedra, edges with two equivalent Sb(1)Li12 cuboctahedra, edges with three equivalent Li(3)Li2Sb2S2 tetrahedra, edges with four equivalent Li(2)Li2Sb2S2 tetrahedra,  a faceface with one Li(3)Li2Sb2S2 tetrahedra, and faces with four equivalent Li(2)Li2Sb2S2 tetrahedra. Sb(1) is bonded to four equivalent Li(1), four equivalent Li(2), and four equivalent Li(3) atoms to form SbLi12 cuboctahedra that share corners with four equivalent Sb(1)Li12 cuboctahedra, corners with eight equivalent Li(2)Li2Sb2S2 tetrahedra, corners with eight equivalent Li(3)Li2Sb2S2 tetrahedra, edges with four equivalent Li(2)Li2Sb2S2 tetrahedra, edges with four equivalent Li(3)Li2Sb2S2 tetrahedra, faces with four equivalent Li(1)Li8Sb4 cuboctahedra, and faces with four equivalent Sb(1)Li12 cuboctahedra. S(1) is bonded in a body-centered cubic geometry to four equivalent Li(2) and four equivalent Li(3) atoms. is represented by the CIF card [CIF]
data_Li5SbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.306
_cell_length_b   4.308
_cell_length_c   6.411
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   118.922
_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  0.500  0.500  1.0
  Li  Li1  1  0.000  1.000  0.213  1.0
  Li  Li2  1  0.000  -0.000  0.787  1.0
  Li  Li3  1  0.500  0.500  0.787  1.0
  Li  Li4  1  0.500  0.500  0.213  1.0
  S  S5  1  0.000  0.500  0.000  1.0
  Sb  Sb6  1  0.500  1.000  0.500  1.0
[/CIF]
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