The material structure described by Li5SbS3I2 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one S(1), two equivalent S(2), and one I(1) atom. In the second Li site, Li(2) is bonded to two equivalent S(2) and two equivalent I(2) atoms to form edge-sharing LiS2I2 tetrahedra. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one S(1), one S(2), one I(2), and two equivalent I(1) atoms. Sb(1) is bonded in a distorted T-shaped geometry to one S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Li(1), two equivalent Li(3), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing SLi4Sb trigonal bipyramids. In the second S site, S(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing SLi4Sb trigonal bipyramids. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 6-coordinate geometry to two equivalent Li(1) and four equivalent Li(3) atoms. In the second I site, I(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2) and two equivalent Li(3) atoms. is represented by the CIF file [CIF]
data_Li5SbS3I2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.616
_cell_length_b   10.481
_cell_length_c   13.581
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1084.010
_cell_formula_units_Z   4
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  0.231  0.061  0.098  1.0
  Li  Li1  1  0.269  0.561  0.402  1.0
  Li  Li2  1  0.500  0.313  0.962  1.0
  Li  Li3  1  0.731  0.561  0.402  1.0
  Li  Li4  1  0.243  0.305  0.252  1.0
  Li  Li5  1  0.769  0.939  0.902  1.0
  Li  Li6  1  0.500  0.687  0.038  1.0
  Li  Li7  1  0.757  0.305  0.252  1.0
  Li  Li8  1  0.757  0.695  0.748  1.0
  Li  Li9  1  0.269  0.439  0.598  1.0
  Li  Li10  1  0.769  0.061  0.098  1.0
  Li  Li11  1  0.257  0.195  0.752  1.0
  Li  Li12  1  0.257  0.805  0.248  1.0
  Li  Li13  1  0.243  0.695  0.748  1.0
  Li  Li14  1  0.000  0.187  0.462  1.0
  Li  Li15  1  0.231  0.939  0.902  1.0
  Li  Li16  1  0.743  0.805  0.248  1.0
  Li  Li17  1  0.743  0.195  0.752  1.0
  Li  Li18  1  0.000  0.813  0.538  1.0
  Li  Li19  1  0.731  0.439  0.598  1.0
  Sb  Sb20  1  0.000  0.301  0.993  1.0
  Sb  Sb21  1  0.500  0.801  0.507  1.0
  Sb  Sb22  1  0.500  0.199  0.493  1.0
  Sb  Sb23  1  0.000  0.699  0.007  1.0
  S  S24  1  0.000  0.799  0.840  1.0
  S  S25  1  0.749  0.672  0.567  1.0
  S  S26  1  0.249  0.172  0.933  1.0
  S  S27  1  0.751  0.172  0.933  1.0
  S  S28  1  0.500  0.701  0.340  1.0
  S  S29  1  0.749  0.328  0.433  1.0
  S  S30  1  0.500  0.299  0.660  1.0
  S  S31  1  0.751  0.828  0.067  1.0
  S  S32  1  0.249  0.828  0.067  1.0
  S  S33  1  0.251  0.672  0.567  1.0
  S  S34  1  0.000  0.201  0.160  1.0
  S  S35  1  0.251  0.328  0.433  1.0
  I  I36  1  0.000  0.430  0.738  1.0
  I  I37  1  0.000  0.942  0.358  1.0
  I  I38  1  0.000  0.058  0.642  1.0
  I  I39  1  0.500  0.070  0.238  1.0
  I  I40  1  0.500  0.930  0.762  1.0
  I  I41  1  0.500  0.558  0.858  1.0
  I  I42  1  0.000  0.570  0.262  1.0
  I  I43  1  0.500  0.442  0.142  1.0
[/CIF]
.
The material structure described by Li5SbS3I2 crystallizes in the orthorhombic Pnnm space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one S(1), two equivalent S(2), and one I(1) atom. In the second Li site, Li(2) is bonded to two equivalent S(2) and two equivalent I(2) atoms to form edge-sharing LiS2I2 tetrahedra. In the third Li site, Li(3) is bonded in a 5-coordinate geometry to one S(1), one S(2), one I(2), and two equivalent I(1) atoms. Sb(1) is bonded in a distorted T-shaped geometry to one S(1) and two equivalent S(2) atoms. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Li(1), two equivalent Li(3), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing SLi4Sb trigonal bipyramids. In the second S site, S(2) is bonded to one Li(2), one Li(3), two equivalent Li(1), and one Sb(1) atom to form a mixture of distorted edge and corner-sharing SLi4Sb trigonal bipyramids. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 6-coordinate geometry to two equivalent Li(1) and four equivalent Li(3) atoms. In the second I site, I(2) is bonded in a rectangular see-saw-like geometry to two equivalent Li(2) and two equivalent Li(3) atoms. is represented by the CIF file [CIF]
data_Li5SbS3I2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.616
_cell_length_b   10.481
_cell_length_c   13.581
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1084.010
_cell_formula_units_Z   4
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  0.231  0.061  0.098  1.0
  Li  Li1  1  0.269  0.561  0.402  1.0
  Li  Li2  1  0.500  0.313  0.962  1.0
  Li  Li3  1  0.731  0.561  0.402  1.0
  Li  Li4  1  0.243  0.305  0.252  1.0
  Li  Li5  1  0.769  0.939  0.902  1.0
  Li  Li6  1  0.500  0.687  0.038  1.0
  Li  Li7  1  0.757  0.305  0.252  1.0
  Li  Li8  1  0.757  0.695  0.748  1.0
  Li  Li9  1  0.269  0.439  0.598  1.0
  Li  Li10  1  0.769  0.061  0.098  1.0
  Li  Li11  1  0.257  0.195  0.752  1.0
  Li  Li12  1  0.257  0.805  0.248  1.0
  Li  Li13  1  0.243  0.695  0.748  1.0
  Li  Li14  1  0.000  0.187  0.462  1.0
  Li  Li15  1  0.231  0.939  0.902  1.0
  Li  Li16  1  0.743  0.805  0.248  1.0
  Li  Li17  1  0.743  0.195  0.752  1.0
  Li  Li18  1  0.000  0.813  0.538  1.0
  Li  Li19  1  0.731  0.439  0.598  1.0
  Sb  Sb20  1  0.000  0.301  0.993  1.0
  Sb  Sb21  1  0.500  0.801  0.507  1.0
  Sb  Sb22  1  0.500  0.199  0.493  1.0
  Sb  Sb23  1  0.000  0.699  0.007  1.0
  S  S24  1  0.000  0.799  0.840  1.0
  S  S25  1  0.749  0.672  0.567  1.0
  S  S26  1  0.249  0.172  0.933  1.0
  S  S27  1  0.751  0.172  0.933  1.0
  S  S28  1  0.500  0.701  0.340  1.0
  S  S29  1  0.749  0.328  0.433  1.0
  S  S30  1  0.500  0.299  0.660  1.0
  S  S31  1  0.751  0.828  0.067  1.0
  S  S32  1  0.249  0.828  0.067  1.0
  S  S33  1  0.251  0.672  0.567  1.0
  S  S34  1  0.000  0.201  0.160  1.0
  S  S35  1  0.251  0.328  0.433  1.0
  I  I36  1  0.000  0.430  0.738  1.0
  I  I37  1  0.000  0.942  0.358  1.0
  I  I38  1  0.000  0.058  0.642  1.0
  I  I39  1  0.500  0.070  0.238  1.0
  I  I40  1  0.500  0.930  0.762  1.0
  I  I41  1  0.500  0.558  0.858  1.0
  I  I42  1  0.000  0.570  0.262  1.0
  I  I43  1  0.500  0.442  0.142  1.0
[/CIF]
.