The material structure described by KLiS crystallizes in the hexagonal P6_3/mmc space group. K(1) is bonded to six equivalent Li(1) and six equivalent S(1) atoms to form a mixture of distorted edge and face-sharing KLi6S6 cuboctahedra. Li(1) is bonded in a trigonal planar geometry to six equivalent K(1) and three equivalent S(1) atoms. S(1) is bonded in a distorted trigonal planar geometry to six equivalent K(1) and three equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_KLiS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.182
_cell_length_b   4.182
_cell_length_c   8.899
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.992
_symmetry_Int_Tables_number   1
_cell_volume   134.782
_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
  K  K0  1  0.000  0.000  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  Li  Li2  1  0.333  0.667  0.750  1.0
  Li  Li3  1  0.667  0.333  0.250  1.0
  S  S4  1  0.667  0.333  0.750  1.0
  S  S5  1  0.333  0.667  0.250  1.0
[/CIF]
.
The material structure described by KLiS crystallizes in the hexagonal P6_3/mmc space group. K(1) is bonded to six equivalent Li(1) and six equivalent S(1) atoms to form a mixture of distorted edge and face-sharing KLi6S6 cuboctahedra. Li(1) is bonded in a trigonal planar geometry to six equivalent K(1) and three equivalent S(1) atoms. S(1) is bonded in a distorted trigonal planar geometry to six equivalent K(1) and three equivalent Li(1) atoms. is represented by the CIF file [CIF]
data_KLiS
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.182
_cell_length_b   4.182
_cell_length_c   8.899
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.992
_symmetry_Int_Tables_number   1
_cell_volume   134.782
_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
  K  K0  1  0.000  0.000  0.500  1.0
  K  K1  1  0.000  0.000  0.000  1.0
  Li  Li2  1  0.333  0.667  0.750  1.0
  Li  Li3  1  0.667  0.333  0.250  1.0
  S  S4  1  0.667  0.333  0.750  1.0
  S  S5  1  0.333  0.667  0.250  1.0
[/CIF]
.