The compound described by Li5SbS4 crystallizes in the orthorhombic Cmc2_1 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), one S(3), and two equivalent S(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one S(2), one S(3), and two equivalent S(1) atoms. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to one S(2) and two equivalent S(1) atoms. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one S(3) and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), and one Sb(1) atom to form distorted corner-sharing SLi4Sb trigonal bipyramids. In the second S site, S(2) is bonded in a 7-coordinate geometry to one Li(3), two equivalent Li(2), and four equivalent Li(1) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Li5SbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.310
_cell_length_b   7.310
_cell_length_c   7.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.464
_symmetry_Int_Tables_number   1
_cell_volume   375.493
_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  0.121  0.243  0.307  1.0
  Li  Li1  1  0.243  0.121  0.807  1.0
  Li  Li2  1  0.156  0.415  0.017  1.0
  Li  Li3  1  0.415  0.156  0.517  1.0
  Li  Li4  1  0.859  0.141  0.698  1.0
  Li  Li5  1  0.141  0.859  0.198  1.0
  Li  Li6  1  0.844  0.585  0.517  1.0
  Li  Li7  1  0.585  0.844  0.017  1.0
  Li  Li8  1  0.879  0.757  0.807  1.0
  Li  Li9  1  0.757  0.879  0.307  1.0
  Sb  Sb10  1  0.666  0.334  0.095  1.0
  Sb  Sb11  1  0.334  0.666  0.595  1.0
  S  S12  1  0.016  0.503  0.766  1.0
  S  S13  1  0.503  0.016  0.266  1.0
  S  S14  1  0.978  0.022  0.030  1.0
  S  S15  1  0.022  0.978  0.530  1.0
  S  S16  1  0.519  0.481  0.712  1.0
  S  S17  1  0.481  0.519  0.212  1.0
  S  S18  1  0.984  0.497  0.266  1.0
  S  S19  1  0.497  0.984  0.766  1.0
[/CIF]
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The compound described by Li5SbS4 crystallizes in the orthorhombic Cmc2_1 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), one S(3), and two equivalent S(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one S(2), one S(3), and two equivalent S(1) atoms. In the third Li site, Li(3) is bonded in a distorted trigonal planar geometry to one S(2) and two equivalent S(1) atoms. Sb(1) is bonded in a distorted trigonal non-coplanar geometry to one S(3) and two equivalent S(1) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(3), two equivalent Li(2), and one Sb(1) atom to form distorted corner-sharing SLi4Sb trigonal bipyramids. In the second S site, S(2) is bonded in a 7-coordinate geometry to one Li(3), two equivalent Li(2), and four equivalent Li(1) atoms. In the third S site, S(3) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Li(2), and one Sb(1) atom. is represented by the CIF file [CIF]
data_Li5SbS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.310
_cell_length_b   7.310
_cell_length_c   7.920
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   117.464
_symmetry_Int_Tables_number   1
_cell_volume   375.493
_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  0.121  0.243  0.307  1.0
  Li  Li1  1  0.243  0.121  0.807  1.0
  Li  Li2  1  0.156  0.415  0.017  1.0
  Li  Li3  1  0.415  0.156  0.517  1.0
  Li  Li4  1  0.859  0.141  0.698  1.0
  Li  Li5  1  0.141  0.859  0.198  1.0
  Li  Li6  1  0.844  0.585  0.517  1.0
  Li  Li7  1  0.585  0.844  0.017  1.0
  Li  Li8  1  0.879  0.757  0.807  1.0
  Li  Li9  1  0.757  0.879  0.307  1.0
  Sb  Sb10  1  0.666  0.334  0.095  1.0
  Sb  Sb11  1  0.334  0.666  0.595  1.0
  S  S12  1  0.016  0.503  0.766  1.0
  S  S13  1  0.503  0.016  0.266  1.0
  S  S14  1  0.978  0.022  0.030  1.0
  S  S15  1  0.022  0.978  0.530  1.0
  S  S16  1  0.519  0.481  0.712  1.0
  S  S17  1  0.481  0.519  0.212  1.0
  S  S18  1  0.984  0.497  0.266  1.0
  S  S19  1  0.497  0.984  0.766  1.0
[/CIF]
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