The material described by Li3SbS4 crystallizes in the monoclinic Cc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(3), one S(4), and two equivalent S(2) atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. In the second Li site, Li(2) is bonded to one S(1), one S(3), and two equivalent S(4) atoms to form a mixture of corner and edge-sharing LiS4 trigonal pyramids. In the third Li site, Li(3) is bonded to one S(3), one S(4), and two equivalent S(1) atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Li(3), and one S(2) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sb(1), and one S(1) atom. In the third S site, S(3) is bonded to one Li(1), one Li(2), one Li(3), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing SLi3Sb tetrahedra. In the fourth S site, S(4) is bonded to one Li(1), one Li(3), two equivalent Li(2), and one Sb(1) atom to form distorted SLi4Sb trigonal bipyramids that share corners with three equivalent S(3)Li3Sb tetrahedra, corners with two equivalent S(4)Li4Sb trigonal bipyramids, and  an edgeedge with one S(3)Li3Sb tetrahedra. is represented by the CIF file [CIF]
data_Li3SbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.391
_cell_length_b   7.391
_cell_length_c   6.920
_cell_angle_alpha   89.828
_cell_angle_beta   89.828
_cell_angle_gamma   65.598
_symmetry_Int_Tables_number   1
_cell_volume   344.221
_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  0.089  0.341  0.628  1.0
  Li  Li1  1  0.341  0.089  0.128  1.0
  Li  Li2  1  0.569  0.336  0.682  1.0
  Li  Li3  1  0.684  0.883  0.888  1.0
  Li  Li4  1  0.336  0.569  0.182  1.0
  Li  Li5  1  0.883  0.684  0.388  1.0
  Sb  Sb6  1  0.174  0.864  0.712  1.0
  Sb  Sb7  1  0.864  0.174  0.212  1.0
  S  S8  1  0.986  0.637  0.049  1.0
  S  S9  1  0.346  0.030  0.483  1.0
  S  S10  1  0.776  0.425  0.457  1.0
  S  S11  1  0.561  0.240  0.032  1.0
  S  S12  1  0.425  0.776  0.957  1.0
  S  S13  1  0.240  0.561  0.532  1.0
  S  S14  1  0.637  0.986  0.549  1.0
  S  S15  1  0.030  0.346  0.983  1.0
[/CIF]
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The material described by Li3SbS4 crystallizes in the monoclinic Cc space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one S(3), one S(4), and two equivalent S(2) atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. In the second Li site, Li(2) is bonded to one S(1), one S(3), and two equivalent S(4) atoms to form a mixture of corner and edge-sharing LiS4 trigonal pyramids. In the third Li site, Li(3) is bonded to one S(3), one S(4), and two equivalent S(1) atoms to form a mixture of corner and edge-sharing LiS4 tetrahedra. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one S(2), one S(3), and one S(4) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 4-coordinate geometry to one Li(2), two equivalent Li(3), and one S(2) atom. In the second S site, S(2) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Sb(1), and one S(1) atom. In the third S site, S(3) is bonded to one Li(1), one Li(2), one Li(3), and one Sb(1) atom to form a mixture of distorted corner and edge-sharing SLi3Sb tetrahedra. In the fourth S site, S(4) is bonded to one Li(1), one Li(3), two equivalent Li(2), and one Sb(1) atom to form distorted SLi4Sb trigonal bipyramids that share corners with three equivalent S(3)Li3Sb tetrahedra, corners with two equivalent S(4)Li4Sb trigonal bipyramids, and  an edgeedge with one S(3)Li3Sb tetrahedra. is represented by the CIF file [CIF]
data_Li3SbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.391
_cell_length_b   7.391
_cell_length_c   6.920
_cell_angle_alpha   89.828
_cell_angle_beta   89.828
_cell_angle_gamma   65.598
_symmetry_Int_Tables_number   1
_cell_volume   344.221
_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  0.089  0.341  0.628  1.0
  Li  Li1  1  0.341  0.089  0.128  1.0
  Li  Li2  1  0.569  0.336  0.682  1.0
  Li  Li3  1  0.684  0.883  0.888  1.0
  Li  Li4  1  0.336  0.569  0.182  1.0
  Li  Li5  1  0.883  0.684  0.388  1.0
  Sb  Sb6  1  0.174  0.864  0.712  1.0
  Sb  Sb7  1  0.864  0.174  0.212  1.0
  S  S8  1  0.986  0.637  0.049  1.0
  S  S9  1  0.346  0.030  0.483  1.0
  S  S10  1  0.776  0.425  0.457  1.0
  S  S11  1  0.561  0.240  0.032  1.0
  S  S12  1  0.425  0.776  0.957  1.0
  S  S13  1  0.240  0.561  0.532  1.0
  S  S14  1  0.637  0.986  0.549  1.0
  S  S15  1  0.030  0.346  0.983  1.0
[/CIF]
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