The material described by Li2SbS2 crystallizes in the orthorhombic P2_12_12_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(3), and two equivalent S(2) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(2), one S(4), and two equivalent S(3) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(2), one S(1), one S(2), and one S(3) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one Li(4), one S(1), and one S(4) atom. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one Li(4), one S(2), and one S(3) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal bipyramidal geometry to one Li(1), one Li(2), one Li(3), one Li(4), and one Sb(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(4), two equivalent Li(1), and one Sb(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(4), two equivalent Li(2), and one Sb(2) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2SbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.618
_cell_length_b   8.689
_cell_length_c   12.573
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   832.284
_cell_formula_units_Z   8
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  0.841  0.806  0.734  1.0
  Li  Li1  1  0.565  0.379  0.607  1.0
  Li  Li2  1  0.889  0.099  0.612  1.0
  Li  Li3  1  0.314  0.033  0.641  1.0
  Li  Li4  1  0.814  0.467  0.359  1.0
  Li  Li5  1  0.389  0.401  0.388  1.0
  Li  Li6  1  0.065  0.121  0.393  1.0
  Li  Li7  1  0.341  0.694  0.266  1.0
  Li  Li8  1  0.659  0.194  0.234  1.0
  Li  Li9  1  0.935  0.621  0.107  1.0
  Li  Li10  1  0.611  0.901  0.112  1.0
  Li  Li11  1  0.186  0.967  0.141  1.0
  Li  Li12  1  0.686  0.533  0.859  1.0
  Li  Li13  1  0.111  0.599  0.888  1.0
  Li  Li14  1  0.435  0.879  0.893  1.0
  Li  Li15  1  0.159  0.306  0.766  1.0
  Sb  Sb16  1  0.323  0.692  0.631  1.0
  Sb  Sb17  1  0.042  0.507  0.548  1.0
  Sb  Sb18  1  0.542  0.993  0.452  1.0
  Sb  Sb19  1  0.823  0.808  0.369  1.0
  Sb  Sb20  1  0.177  0.308  0.131  1.0
  Sb  Sb21  1  0.458  0.493  0.048  1.0
  Sb  Sb22  1  0.958  0.007  0.952  1.0
  Sb  Sb23  1  0.677  0.192  0.869  1.0
  S  S24  1  0.608  0.010  0.720  1.0
  S  S25  1  0.904  0.476  0.723  1.0
  S  S26  1  0.224  0.268  0.545  1.0
  S  S27  1  0.524  0.611  0.491  1.0
  S  S28  1  0.024  0.889  0.509  1.0
  S  S29  1  0.724  0.232  0.455  1.0
  S  S30  1  0.404  0.024  0.277  1.0
  S  S31  1  0.108  0.490  0.280  1.0
  S  S32  1  0.892  0.990  0.220  1.0
  S  S33  1  0.596  0.524  0.223  1.0
  S  S34  1  0.276  0.732  0.045  1.0
  S  S35  1  0.976  0.389  0.991  1.0
  S  S36  1  0.476  0.111  0.009  1.0
  S  S37  1  0.776  0.768  0.955  1.0
  S  S38  1  0.096  0.976  0.777  1.0
  S  S39  1  0.392  0.510  0.780  1.0
[/CIF]
.
The material described by Li2SbS2 crystallizes in the orthorhombic P2_12_12_1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(3), and two equivalent S(2) atoms. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one S(1), one S(2), one S(4), and two equivalent S(3) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one S(1), one S(2), one S(3), and one S(4) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one Sb(1), one Sb(2), one S(1), one S(2), and one S(3) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one Li(4), one S(1), and one S(4) atom. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to one Li(4), one S(2), and one S(3) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted trigonal bipyramidal geometry to one Li(1), one Li(2), one Li(3), one Li(4), and one Sb(1) atom. In the second S site, S(2) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), one Li(4), two equivalent Li(1), and one Sb(2) atom. In the third S site, S(3) is bonded in a 6-coordinate geometry to one Li(1), one Li(3), one Li(4), two equivalent Li(2), and one Sb(2) atom. In the fourth S site, S(4) is bonded in a 3-coordinate geometry to one Li(2), one Li(3), and one Sb(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li2SbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.618
_cell_length_b   8.689
_cell_length_c   12.573
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   832.284
_cell_formula_units_Z   8
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  0.841  0.806  0.734  1.0
  Li  Li1  1  0.565  0.379  0.607  1.0
  Li  Li2  1  0.889  0.099  0.612  1.0
  Li  Li3  1  0.314  0.033  0.641  1.0
  Li  Li4  1  0.814  0.467  0.359  1.0
  Li  Li5  1  0.389  0.401  0.388  1.0
  Li  Li6  1  0.065  0.121  0.393  1.0
  Li  Li7  1  0.341  0.694  0.266  1.0
  Li  Li8  1  0.659  0.194  0.234  1.0
  Li  Li9  1  0.935  0.621  0.107  1.0
  Li  Li10  1  0.611  0.901  0.112  1.0
  Li  Li11  1  0.186  0.967  0.141  1.0
  Li  Li12  1  0.686  0.533  0.859  1.0
  Li  Li13  1  0.111  0.599  0.888  1.0
  Li  Li14  1  0.435  0.879  0.893  1.0
  Li  Li15  1  0.159  0.306  0.766  1.0
  Sb  Sb16  1  0.323  0.692  0.631  1.0
  Sb  Sb17  1  0.042  0.507  0.548  1.0
  Sb  Sb18  1  0.542  0.993  0.452  1.0
  Sb  Sb19  1  0.823  0.808  0.369  1.0
  Sb  Sb20  1  0.177  0.308  0.131  1.0
  Sb  Sb21  1  0.458  0.493  0.048  1.0
  Sb  Sb22  1  0.958  0.007  0.952  1.0
  Sb  Sb23  1  0.677  0.192  0.869  1.0
  S  S24  1  0.608  0.010  0.720  1.0
  S  S25  1  0.904  0.476  0.723  1.0
  S  S26  1  0.224  0.268  0.545  1.0
  S  S27  1  0.524  0.611  0.491  1.0
  S  S28  1  0.024  0.889  0.509  1.0
  S  S29  1  0.724  0.232  0.455  1.0
  S  S30  1  0.404  0.024  0.277  1.0
  S  S31  1  0.108  0.490  0.280  1.0
  S  S32  1  0.892  0.990  0.220  1.0
  S  S33  1  0.596  0.524  0.223  1.0
  S  S34  1  0.276  0.732  0.045  1.0
  S  S35  1  0.976  0.389  0.991  1.0
  S  S36  1  0.476  0.111  0.009  1.0
  S  S37  1  0.776  0.768  0.955  1.0
  S  S38  1  0.096  0.976  0.777  1.0
  S  S39  1  0.392  0.510  0.780  1.0
[/CIF]
.