The compound described by Li9Sb3S crystallizes in the monoclinic P2_1/c space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one Sb(2), two equivalent Sb(1), and one S(1) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one Sb(3), two equivalent Sb(2), and one S(1) atom. In the fourth Li site, Li(4) is bonded in a 1-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), and one S(1) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), and one S(1) atom. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one Sb(2), one Sb(3), and one S(1) atom. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), and one S(1) atom. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(3), and one S(1) atom. In the ninth Li site, Li(9) is bonded in a 3-coordinate geometry to one Sb(2), one Sb(3), and one S(1) atom. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Li(4), one Li(5), one Li(7), one Li(8), two equivalent Li(1), and two equivalent Li(2) atoms. In the second Sb site, Sb(2) is bonded in a 10-coordinate geometry to one Li(1), one Li(4), one Li(5), one Li(6), one Li(7), one Li(9), two equivalent Li(2), and two equivalent Li(3) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), one Li(8), and one Li(9) atom. S(1) is bonded in a 8-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), one Li(8), and one Li(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Sb3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.450
_cell_length_b   7.766
_cell_length_c   14.596
_cell_angle_alpha   72.505
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1021.597
_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  0.186  0.956  0.881  1.0
  Li  Li1  1  0.752  0.902  0.951  1.0
  Li  Li2  1  0.443  0.729  0.960  1.0
  Li  Li3  1  0.314  0.956  0.381  1.0
  Li  Li4  1  0.441  0.867  0.759  1.0
  Li  Li5  1  0.748  0.902  0.451  1.0
  Li  Li6  1  0.057  0.729  0.460  1.0
  Li  Li7  1  0.211  0.696  0.668  1.0
  Li  Li8  1  0.986  0.701  0.814  1.0
  Li  Li9  1  0.059  0.867  0.259  1.0
  Li  Li10  1  0.691  0.645  0.661  1.0
  Li  Li11  1  0.289  0.696  0.168  1.0
  Li  Li12  1  0.839  0.458  0.001  1.0
  Li  Li13  1  0.514  0.701  0.314  1.0
  Li  Li14  1  0.447  0.488  0.849  1.0
  Li  Li15  1  0.947  0.512  0.651  1.0
  Li  Li16  1  0.339  0.542  0.499  1.0
  Li  Li17  1  0.809  0.645  0.161  1.0
  Li  Li18  1  0.191  0.355  0.839  1.0
  Li  Li19  1  0.661  0.458  0.501  1.0
  Li  Li20  1  0.053  0.488  0.349  1.0
  Li  Li21  1  0.553  0.512  0.151  1.0
  Li  Li22  1  0.486  0.299  0.686  1.0
  Li  Li23  1  0.161  0.542  0.999  1.0
  Li  Li24  1  0.711  0.304  0.832  1.0
  Li  Li25  1  0.309  0.355  0.339  1.0
  Li  Li26  1  0.941  0.133  0.741  1.0
  Li  Li27  1  0.014  0.299  0.186  1.0
  Li  Li28  1  0.789  0.304  0.332  1.0
  Li  Li29  1  0.943  0.271  0.540  1.0
  Li  Li30  1  0.252  0.098  0.549  1.0
  Li  Li31  1  0.559  0.133  0.241  1.0
  Li  Li32  1  0.686  0.044  0.619  1.0
  Li  Li33  1  0.557  0.271  0.040  1.0
  Li  Li34  1  0.248  0.098  0.049  1.0
  Li  Li35  1  0.814  0.044  0.119  1.0
  Sb  Sb36  1  0.460  0.819  0.564  1.0
  Sb  Sb37  1  0.947  0.890  0.603  1.0
  Sb  Sb38  1  0.697  0.667  0.846  1.0
  Sb  Sb39  1  0.040  0.819  0.064  1.0
  Sb  Sb40  1  0.553  0.890  0.103  1.0
  Sb  Sb41  1  0.803  0.667  0.346  1.0
  Sb  Sb42  1  0.197  0.333  0.654  1.0
  Sb  Sb43  1  0.447  0.110  0.897  1.0
  Sb  Sb44  1  0.960  0.181  0.936  1.0
  Sb  Sb45  1  0.303  0.333  0.154  1.0
  Sb  Sb46  1  0.053  0.110  0.397  1.0
  Sb  Sb47  1  0.540  0.181  0.436  1.0
  S  S48  1  0.242  0.673  0.840  1.0
  S  S49  1  0.258  0.673  0.340  1.0
  S  S50  1  0.742  0.327  0.660  1.0
  S  S51  1  0.758  0.327  0.160  1.0
[/CIF]
.
The compound described by Li9Sb3S crystallizes in the monoclinic P2_1/c space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one Sb(2), two equivalent Sb(1), and one S(1) atom. In the second Li site, Li(2) is bonded in a 3-coordinate geometry to one Sb(3), two equivalent Sb(1), and two equivalent Sb(2) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one Sb(3), two equivalent Sb(2), and one S(1) atom. In the fourth Li site, Li(4) is bonded in a 1-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), and one S(1) atom. In the fifth Li site, Li(5) is bonded in a 4-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), and one S(1) atom. In the sixth Li site, Li(6) is bonded in a 3-coordinate geometry to one Sb(2), one Sb(3), and one S(1) atom. In the seventh Li site, Li(7) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(2), one Sb(3), and one S(1) atom. In the eighth Li site, Li(8) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(3), and one S(1) atom. In the ninth Li site, Li(9) is bonded in a 3-coordinate geometry to one Sb(2), one Sb(3), and one S(1) atom. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to one Li(4), one Li(5), one Li(7), one Li(8), two equivalent Li(1), and two equivalent Li(2) atoms. In the second Sb site, Sb(2) is bonded in a 10-coordinate geometry to one Li(1), one Li(4), one Li(5), one Li(6), one Li(7), one Li(9), two equivalent Li(2), and two equivalent Li(3) atoms. In the third Sb site, Sb(3) is bonded in a 8-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), one Li(8), and one Li(9) atom. S(1) is bonded in a 8-coordinate geometry to one Li(1), one Li(3), one Li(4), one Li(5), one Li(6), one Li(7), one Li(8), and one Li(9) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li9Sb3S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.450
_cell_length_b   7.766
_cell_length_c   14.596
_cell_angle_alpha   72.505
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   1021.597
_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  0.186  0.956  0.881  1.0
  Li  Li1  1  0.752  0.902  0.951  1.0
  Li  Li2  1  0.443  0.729  0.960  1.0
  Li  Li3  1  0.314  0.956  0.381  1.0
  Li  Li4  1  0.441  0.867  0.759  1.0
  Li  Li5  1  0.748  0.902  0.451  1.0
  Li  Li6  1  0.057  0.729  0.460  1.0
  Li  Li7  1  0.211  0.696  0.668  1.0
  Li  Li8  1  0.986  0.701  0.814  1.0
  Li  Li9  1  0.059  0.867  0.259  1.0
  Li  Li10  1  0.691  0.645  0.661  1.0
  Li  Li11  1  0.289  0.696  0.168  1.0
  Li  Li12  1  0.839  0.458  0.001  1.0
  Li  Li13  1  0.514  0.701  0.314  1.0
  Li  Li14  1  0.447  0.488  0.849  1.0
  Li  Li15  1  0.947  0.512  0.651  1.0
  Li  Li16  1  0.339  0.542  0.499  1.0
  Li  Li17  1  0.809  0.645  0.161  1.0
  Li  Li18  1  0.191  0.355  0.839  1.0
  Li  Li19  1  0.661  0.458  0.501  1.0
  Li  Li20  1  0.053  0.488  0.349  1.0
  Li  Li21  1  0.553  0.512  0.151  1.0
  Li  Li22  1  0.486  0.299  0.686  1.0
  Li  Li23  1  0.161  0.542  0.999  1.0
  Li  Li24  1  0.711  0.304  0.832  1.0
  Li  Li25  1  0.309  0.355  0.339  1.0
  Li  Li26  1  0.941  0.133  0.741  1.0
  Li  Li27  1  0.014  0.299  0.186  1.0
  Li  Li28  1  0.789  0.304  0.332  1.0
  Li  Li29  1  0.943  0.271  0.540  1.0
  Li  Li30  1  0.252  0.098  0.549  1.0
  Li  Li31  1  0.559  0.133  0.241  1.0
  Li  Li32  1  0.686  0.044  0.619  1.0
  Li  Li33  1  0.557  0.271  0.040  1.0
  Li  Li34  1  0.248  0.098  0.049  1.0
  Li  Li35  1  0.814  0.044  0.119  1.0
  Sb  Sb36  1  0.460  0.819  0.564  1.0
  Sb  Sb37  1  0.947  0.890  0.603  1.0
  Sb  Sb38  1  0.697  0.667  0.846  1.0
  Sb  Sb39  1  0.040  0.819  0.064  1.0
  Sb  Sb40  1  0.553  0.890  0.103  1.0
  Sb  Sb41  1  0.803  0.667  0.346  1.0
  Sb  Sb42  1  0.197  0.333  0.654  1.0
  Sb  Sb43  1  0.447  0.110  0.897  1.0
  Sb  Sb44  1  0.960  0.181  0.936  1.0
  Sb  Sb45  1  0.303  0.333  0.154  1.0
  Sb  Sb46  1  0.053  0.110  0.397  1.0
  Sb  Sb47  1  0.540  0.181  0.436  1.0
  S  S48  1  0.242  0.673  0.840  1.0
  S  S49  1  0.258  0.673  0.340  1.0
  S  S50  1  0.742  0.327  0.660  1.0
  S  S51  1  0.758  0.327  0.160  1.0
[/CIF]
.