The structure described by Li7Sb2S crystallizes in the monoclinic P2_1/c space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-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 4-coordinate geometry to one Sb(1), two equivalent Sb(2), and one S(1) atom. In the third Li site, Li(3) is bonded to one Sb(1), two equivalent Sb(2), and one S(1) atom to form a mixture of distorted corner and edge-sharing LiSb3S tetrahedra. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(2), and one S(1) atom. In the fifth Li site, Li(5) is bonded to one Sb(2), two equivalent Sb(1), and one S(1) atom to form a mixture of distorted corner and edge-sharing LiSb3S tetrahedra. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one Sb(2), two equivalent Sb(1), and one S(1) atom. In the seventh Li site, Li(7) is bonded in a 1-coordinate geometry to one Sb(1), two equivalent Sb(2), and one S(1) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(7), two equivalent Li(1), two equivalent Li(5), and two equivalent Li(6) 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), two equivalent Li(2), two equivalent Li(3), and two equivalent Li(7) atoms. S(1) is bonded in a distorted pentagonal bipyramidal geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), and one Li(7) atom. is represented by the CIF file [CIF]
data_Li7Sb2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.985
_cell_length_b   5.942
_cell_length_c   9.397
_cell_angle_alpha   89.884
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   780.847
_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  0.149  0.273  0.046  1.0
  Li  Li1  1  0.394  0.002  0.080  1.0
  Li  Li2  1  0.396  0.491  0.091  1.0
  Li  Li3  1  0.920  0.153  0.138  1.0
  Li  Li4  1  0.746  0.510  0.187  1.0
  Li  Li5  1  0.737  0.995  0.188  1.0
  Li  Li6  1  0.050  0.729  0.230  1.0
  Li  Li7  1  0.550  0.271  0.270  1.0
  Li  Li8  1  0.237  0.005  0.312  1.0
  Li  Li9  1  0.246  0.490  0.313  1.0
  Li  Li10  1  0.420  0.847  0.362  1.0
  Li  Li11  1  0.896  0.509  0.409  1.0
  Li  Li12  1  0.894  0.998  0.420  1.0
  Li  Li13  1  0.649  0.727  0.454  1.0
  Li  Li14  1  0.351  0.273  0.546  1.0
  Li  Li15  1  0.106  0.002  0.580  1.0
  Li  Li16  1  0.104  0.491  0.591  1.0
  Li  Li17  1  0.580  0.153  0.638  1.0
  Li  Li18  1  0.754  0.510  0.687  1.0
  Li  Li19  1  0.763  0.995  0.688  1.0
  Li  Li20  1  0.450  0.729  0.730  1.0
  Li  Li21  1  0.950  0.271  0.770  1.0
  Li  Li22  1  0.263  0.005  0.812  1.0
  Li  Li23  1  0.254  0.490  0.813  1.0
  Li  Li24  1  0.080  0.847  0.862  1.0
  Li  Li25  1  0.604  0.509  0.909  1.0
  Li  Li26  1  0.606  0.998  0.920  1.0
  Li  Li27  1  0.851  0.727  0.954  1.0
  Sb  Sb28  1  0.222  0.745  0.063  1.0
  Sb  Sb29  1  0.566  0.748  0.169  1.0
  Sb  Sb30  1  0.066  0.252  0.331  1.0
  Sb  Sb31  1  0.722  0.255  0.437  1.0
  Sb  Sb32  1  0.278  0.745  0.563  1.0
  Sb  Sb33  1  0.934  0.748  0.669  1.0
  Sb  Sb34  1  0.434  0.252  0.831  1.0
  Sb  Sb35  1  0.778  0.255  0.937  1.0
  S  S36  1  0.880  0.768  0.206  1.0
  S  S37  1  0.380  0.232  0.294  1.0
  S  S38  1  0.620  0.768  0.706  1.0
  S  S39  1  0.120  0.232  0.794  1.0
[/CIF]
.
The structure described by Li7Sb2S crystallizes in the monoclinic P2_1/c space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a 1-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 4-coordinate geometry to one Sb(1), two equivalent Sb(2), and one S(1) atom. In the third Li site, Li(3) is bonded to one Sb(1), two equivalent Sb(2), and one S(1) atom to form a mixture of distorted corner and edge-sharing LiSb3S tetrahedra. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(2), and one S(1) atom. In the fifth Li site, Li(5) is bonded to one Sb(2), two equivalent Sb(1), and one S(1) atom to form a mixture of distorted corner and edge-sharing LiSb3S tetrahedra. In the sixth Li site, Li(6) is bonded in a 4-coordinate geometry to one Sb(2), two equivalent Sb(1), and one S(1) atom. In the seventh Li site, Li(7) is bonded in a 1-coordinate geometry to one Sb(1), two equivalent Sb(2), and one S(1) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 10-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(7), two equivalent Li(1), two equivalent Li(5), and two equivalent Li(6) 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), two equivalent Li(2), two equivalent Li(3), and two equivalent Li(7) atoms. S(1) is bonded in a distorted pentagonal bipyramidal geometry to one Li(1), one Li(2), one Li(3), one Li(4), one Li(5), one Li(6), and one Li(7) atom. is represented by the CIF file [CIF]
data_Li7Sb2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.985
_cell_length_b   5.942
_cell_length_c   9.397
_cell_angle_alpha   89.884
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   780.847
_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  0.149  0.273  0.046  1.0
  Li  Li1  1  0.394  0.002  0.080  1.0
  Li  Li2  1  0.396  0.491  0.091  1.0
  Li  Li3  1  0.920  0.153  0.138  1.0
  Li  Li4  1  0.746  0.510  0.187  1.0
  Li  Li5  1  0.737  0.995  0.188  1.0
  Li  Li6  1  0.050  0.729  0.230  1.0
  Li  Li7  1  0.550  0.271  0.270  1.0
  Li  Li8  1  0.237  0.005  0.312  1.0
  Li  Li9  1  0.246  0.490  0.313  1.0
  Li  Li10  1  0.420  0.847  0.362  1.0
  Li  Li11  1  0.896  0.509  0.409  1.0
  Li  Li12  1  0.894  0.998  0.420  1.0
  Li  Li13  1  0.649  0.727  0.454  1.0
  Li  Li14  1  0.351  0.273  0.546  1.0
  Li  Li15  1  0.106  0.002  0.580  1.0
  Li  Li16  1  0.104  0.491  0.591  1.0
  Li  Li17  1  0.580  0.153  0.638  1.0
  Li  Li18  1  0.754  0.510  0.687  1.0
  Li  Li19  1  0.763  0.995  0.688  1.0
  Li  Li20  1  0.450  0.729  0.730  1.0
  Li  Li21  1  0.950  0.271  0.770  1.0
  Li  Li22  1  0.263  0.005  0.812  1.0
  Li  Li23  1  0.254  0.490  0.813  1.0
  Li  Li24  1  0.080  0.847  0.862  1.0
  Li  Li25  1  0.604  0.509  0.909  1.0
  Li  Li26  1  0.606  0.998  0.920  1.0
  Li  Li27  1  0.851  0.727  0.954  1.0
  Sb  Sb28  1  0.222  0.745  0.063  1.0
  Sb  Sb29  1  0.566  0.748  0.169  1.0
  Sb  Sb30  1  0.066  0.252  0.331  1.0
  Sb  Sb31  1  0.722  0.255  0.437  1.0
  Sb  Sb32  1  0.278  0.745  0.563  1.0
  Sb  Sb33  1  0.934  0.748  0.669  1.0
  Sb  Sb34  1  0.434  0.252  0.831  1.0
  Sb  Sb35  1  0.778  0.255  0.937  1.0
  S  S36  1  0.880  0.768  0.206  1.0
  S  S37  1  0.380  0.232  0.294  1.0
  S  S38  1  0.620  0.768  0.706  1.0
  S  S39  1  0.120  0.232  0.794  1.0
[/CIF]
.