The material described by KLiZnS2 crystallizes in the tetragonal I-4m2 space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. Li(1) is bonded to four equivalent S(1) atoms to form distorted LiS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra and edges with four equivalent Zn(1)S4 tetrahedra. Zn(1) is bonded to four equivalent S(1) atoms to form distorted ZnS4 tetrahedra that share corners with four equivalent Zn(1)S4 tetrahedra and edges with four equivalent Li(1)S4 tetrahedra. S(1) is bonded in a 8-coordinate geometry to four equivalent K(1), two equivalent Li(1), and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLiZnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.238
_cell_length_b   7.238
_cell_length_c   7.238
_cell_angle_alpha   148.078
_cell_angle_beta   148.078
_cell_angle_gamma   45.770
_symmetry_Int_Tables_number   1
_cell_volume   105.644
_cell_formula_units_Z   1
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  0.000  1.0
  Li  Li1  1  0.750  0.250  0.500  1.0
  Zn  Zn2  1  0.250  0.750  0.500  1.0
  S  S3  1  0.648  0.648  0.000  1.0
  S  S4  1  0.352  0.352  0.000  1.0
[/CIF]
.
The material described by KLiZnS2 crystallizes in the tetragonal I-4m2 space group. K(1) is bonded in a body-centered cubic geometry to eight equivalent S(1) atoms. Li(1) is bonded to four equivalent S(1) atoms to form distorted LiS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra and edges with four equivalent Zn(1)S4 tetrahedra. Zn(1) is bonded to four equivalent S(1) atoms to form distorted ZnS4 tetrahedra that share corners with four equivalent Zn(1)S4 tetrahedra and edges with four equivalent Li(1)S4 tetrahedra. S(1) is bonded in a 8-coordinate geometry to four equivalent K(1), two equivalent Li(1), and two equivalent Zn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_KLiZnS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.238
_cell_length_b   7.238
_cell_length_c   7.238
_cell_angle_alpha   148.078
_cell_angle_beta   148.078
_cell_angle_gamma   45.770
_symmetry_Int_Tables_number   1
_cell_volume   105.644
_cell_formula_units_Z   1
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  0.000  1.0
  Li  Li1  1  0.750  0.250  0.500  1.0
  Zn  Zn2  1  0.250  0.750  0.500  1.0
  S  S3  1  0.648  0.648  0.000  1.0
  S  S4  1  0.352  0.352  0.000  1.0
[/CIF]
.