The material described by Li5SbS crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one Sb(1) and two equivalent S(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to three equivalent Sb(1) and one S(1) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to two equivalent Sb(1) and two equivalent S(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent Li(3), and six equivalent Li(2) atoms. S(1) is bonded in a 8-coordinate geometry to two equivalent Li(2), two equivalent Li(3), and four equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_Li5SbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.695
_cell_length_b   8.695
_cell_length_c   6.201
_cell_angle_alpha   89.529
_cell_angle_beta   89.529
_cell_angle_gamma   147.559
_symmetry_Int_Tables_number   1
_cell_volume   251.387
_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  0.822  0.746  0.589  1.0
  Li  Li1  1  0.802  0.184  0.495  1.0
  Li  Li2  1  0.636  0.364  0.250  1.0
  Li  Li3  1  0.816  0.198  0.005  1.0
  Li  Li4  1  0.746  0.822  0.089  1.0
  Li  Li5  1  0.254  0.178  0.911  1.0
  Li  Li6  1  0.184  0.802  0.995  1.0
  Li  Li7  1  0.364  0.636  0.750  1.0
  Li  Li8  1  0.198  0.816  0.505  1.0
  Li  Li9  1  0.178  0.254  0.411  1.0
  Sb  Sb10  1  0.667  0.333  0.750  1.0
  Sb  Sb11  1  0.333  0.667  0.250  1.0
  S  S12  1  0.925  0.075  0.750  1.0
  S  S13  1  0.075  0.925  0.250  1.0
[/CIF]
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The material described by Li5SbS crystallizes in the monoclinic C2/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to one Sb(1) and two equivalent S(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to three equivalent Sb(1) and one S(1) atom. In the third Li site, Li(3) is bonded in a 2-coordinate geometry to two equivalent Sb(1) and two equivalent S(1) atoms. Sb(1) is bonded in a 10-coordinate geometry to two equivalent Li(1), two equivalent Li(3), and six equivalent Li(2) atoms. S(1) is bonded in a 8-coordinate geometry to two equivalent Li(2), two equivalent Li(3), and four equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_Li5SbS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.695
_cell_length_b   8.695
_cell_length_c   6.201
_cell_angle_alpha   89.529
_cell_angle_beta   89.529
_cell_angle_gamma   147.559
_symmetry_Int_Tables_number   1
_cell_volume   251.387
_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  0.822  0.746  0.589  1.0
  Li  Li1  1  0.802  0.184  0.495  1.0
  Li  Li2  1  0.636  0.364  0.250  1.0
  Li  Li3  1  0.816  0.198  0.005  1.0
  Li  Li4  1  0.746  0.822  0.089  1.0
  Li  Li5  1  0.254  0.178  0.911  1.0
  Li  Li6  1  0.184  0.802  0.995  1.0
  Li  Li7  1  0.364  0.636  0.750  1.0
  Li  Li8  1  0.198  0.816  0.505  1.0
  Li  Li9  1  0.178  0.254  0.411  1.0
  Sb  Sb10  1  0.667  0.333  0.750  1.0
  Sb  Sb11  1  0.333  0.667  0.250  1.0
  S  S12  1  0.925  0.075  0.750  1.0
  S  S13  1  0.075  0.925  0.250  1.0
[/CIF]
.