The material described by Li7(SbS)2 crystallizes in the triclinic P-1 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 3-coordinate geometry to one Sb(2), one S(1), and one S(2) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one Sb(1), one S(2), and two equivalent S(1) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one Sb(1), one S(2), and two equivalent S(1) atoms. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one Sb(2) and two equivalent S(2) atoms. In the sixth Li site, Li(6) is bonded in a 1-coordinate geometry to three equivalent Sb(2) and one S(2) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to two equivalent Sb(2), one S(1), and one S(2) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), two equivalent Li(1), and one Sb(2) atom. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Li(1), one Li(2), one Li(5), two equivalent Li(7), three equivalent Li(6), and one Sb(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(2), one Li(7), two equivalent Li(3), and two equivalent Li(4) atoms to form distorted edge-sharing SLi7 pentagonal bipyramids. In the second S site, S(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(6), one Li(7), and two equivalent Li(5) atoms. is represented by the CIF card [CIF]
data_Li7(SbS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.735
_cell_length_b   8.942
_cell_length_c   9.755
_cell_angle_alpha   67.278
_cell_angle_beta   77.792
_cell_angle_gamma   76.467
_symmetry_Int_Tables_number   1
_cell_volume   444.481
_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  0.559  0.429  0.876  1.0
  Li  Li1  1  0.092  0.261  0.792  1.0
  Li  Li2  1  0.552  0.943  0.875  1.0
  Li  Li3  1  0.067  0.926  0.870  1.0
  Li  Li4  1  0.360  0.876  0.563  1.0
  Li  Li5  1  0.797  0.645  0.527  1.0
  Li  Li6  1  0.596  0.256  0.669  1.0
  Li  Li7  1  0.404  0.744  0.331  1.0
  Li  Li8  1  0.203  0.355  0.473  1.0
  Li  Li9  1  0.640  0.124  0.437  1.0
  Li  Li10  1  0.933  0.074  0.130  1.0
  Li  Li11  1  0.448  0.057  0.125  1.0
  Li  Li12  1  0.908  0.739  0.208  1.0
  Li  Li13  1  0.441  0.571  0.124  1.0
  Sb  Sb14  1  0.893  0.630  0.875  1.0
  Sb  Sb15  1  0.257  0.563  0.637  1.0
  Sb  Sb16  1  0.743  0.437  0.363  1.0
  Sb  Sb17  1  0.107  0.370  0.125  1.0
  S  S18  1  0.735  0.148  0.906  1.0
  S  S19  1  0.339  0.083  0.658  1.0
  S  S20  1  0.661  0.917  0.342  1.0
  S  S21  1  0.265  0.852  0.094  1.0
[/CIF]
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The material described by Li7(SbS)2 crystallizes in the triclinic P-1 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 3-coordinate geometry to one Sb(2), one S(1), and one S(2) atom. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to one Sb(1), one S(2), and two equivalent S(1) atoms. In the fourth Li site, Li(4) is bonded in a 4-coordinate geometry to one Sb(1), one S(2), and two equivalent S(1) atoms. In the fifth Li site, Li(5) is bonded in a 3-coordinate geometry to one Sb(2) and two equivalent S(2) atoms. In the sixth Li site, Li(6) is bonded in a 1-coordinate geometry to three equivalent Sb(2) and one S(2) atom. In the seventh Li site, Li(7) is bonded in a 4-coordinate geometry to two equivalent Sb(2), one S(1), and one S(2) atom. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 4-coordinate geometry to one Li(3), one Li(4), two equivalent Li(1), and one Sb(2) atom. In the second Sb site, Sb(2) is bonded in a 9-coordinate geometry to one Li(1), one Li(2), one Li(5), two equivalent Li(7), three equivalent Li(6), and one Sb(1) atom. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Li(1), one Li(2), one Li(7), two equivalent Li(3), and two equivalent Li(4) atoms to form distorted edge-sharing SLi7 pentagonal bipyramids. In the second S site, S(2) is bonded in a 7-coordinate geometry to one Li(2), one Li(3), one Li(4), one Li(6), one Li(7), and two equivalent Li(5) atoms. is represented by the CIF card [CIF]
data_Li7(SbS)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.735
_cell_length_b   8.942
_cell_length_c   9.755
_cell_angle_alpha   67.278
_cell_angle_beta   77.792
_cell_angle_gamma   76.467
_symmetry_Int_Tables_number   1
_cell_volume   444.481
_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  0.559  0.429  0.876  1.0
  Li  Li1  1  0.092  0.261  0.792  1.0
  Li  Li2  1  0.552  0.943  0.875  1.0
  Li  Li3  1  0.067  0.926  0.870  1.0
  Li  Li4  1  0.360  0.876  0.563  1.0
  Li  Li5  1  0.797  0.645  0.527  1.0
  Li  Li6  1  0.596  0.256  0.669  1.0
  Li  Li7  1  0.404  0.744  0.331  1.0
  Li  Li8  1  0.203  0.355  0.473  1.0
  Li  Li9  1  0.640  0.124  0.437  1.0
  Li  Li10  1  0.933  0.074  0.130  1.0
  Li  Li11  1  0.448  0.057  0.125  1.0
  Li  Li12  1  0.908  0.739  0.208  1.0
  Li  Li13  1  0.441  0.571  0.124  1.0
  Sb  Sb14  1  0.893  0.630  0.875  1.0
  Sb  Sb15  1  0.257  0.563  0.637  1.0
  Sb  Sb16  1  0.743  0.437  0.363  1.0
  Sb  Sb17  1  0.107  0.370  0.125  1.0
  S  S18  1  0.735  0.148  0.906  1.0
  S  S19  1  0.339  0.083  0.658  1.0
  S  S20  1  0.661  0.917  0.342  1.0
  S  S21  1  0.265  0.852  0.094  1.0
[/CIF]
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