The material structure described by KIn5S8 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(1) atoms to form InS6 octahedra that share corners with two equivalent In(3)S6 octahedra, corners with three equivalent In(2)S4 tetrahedra, and edges with four equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second In site, In(2) is bonded to one S(3), one S(4), and two equivalent S(2) atoms to form distorted InS4 tetrahedra that share corners with three equivalent In(1)S6 octahedra, corners with two equivalent In(2)S4 tetrahedra, and edges with two equivalent In(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 63-85°. In the third In site, In(3) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form InS6 octahedra that share corners with four equivalent In(1)S6 octahedra, edges with two equivalent In(3)S6 octahedra, and edges with four equivalent In(2)S4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and three equivalent In(1) atoms. In the second S site, S(2) is bonded to two equivalent K(1), one In(3), and two equivalent In(2) atoms to form distorted SK2In3 trigonal bipyramids that share corners with three equivalent S(2)K2In3 trigonal bipyramids, corners with two equivalent S(3)In4 trigonal pyramids, edges with three equivalent S(2)K2In3 trigonal bipyramids, and edges with two equivalent S(3)In4 trigonal pyramids. In the third S site, S(3) is bonded to one In(1), one In(2), and two equivalent In(3) atoms to form SIn4 trigonal pyramids that share corners with two equivalent S(2)K2In3 trigonal bipyramids, corners with four equivalent S(3)In4 trigonal pyramids, edges with two equivalent S(2)K2In3 trigonal bipyramids, and  an edgeedge with one S(3)In4 trigonal pyramid. In the fourth S site, S(4) is bonded in a distorted trigonal non-coplanar geometry to one In(2) and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_KIn5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.744
_cell_length_b   9.744
_cell_length_c   9.303
_cell_angle_alpha   77.060
_cell_angle_beta   77.060
_cell_angle_gamma   22.958
_symmetry_Int_Tables_number   1
_cell_volume   335.426
_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  0.500  0.500  0.500  1.0
  In  In1  1  0.287  0.287  0.338  1.0
  In  In2  1  0.355  0.355  0.908  1.0
  In  In3  1  0.645  0.645  0.092  1.0
  In  In4  1  0.713  0.713  0.662  1.0
  In  In5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.165  0.165  0.524  1.0
  S  S7  1  0.069  0.069  0.216  1.0
  S  S8  1  0.931  0.931  0.784  1.0
  S  S9  1  0.415  0.415  0.124  1.0
  S  S10  1  0.585  0.585  0.876  1.0
  S  S11  1  0.238  0.238  0.846  1.0
  S  S12  1  0.762  0.762  0.154  1.0
  S  S13  1  0.835  0.835  0.476  1.0
[/CIF]
.
The material structure described by KIn5S8 crystallizes in the monoclinic C2/m space group. K(1) is bonded in a 8-coordinate geometry to four equivalent S(1) and four equivalent S(2) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded to one S(3), two equivalent S(4), and three equivalent S(1) atoms to form InS6 octahedra that share corners with two equivalent In(3)S6 octahedra, corners with three equivalent In(2)S4 tetrahedra, and edges with four equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles are 48°. In the second In site, In(2) is bonded to one S(3), one S(4), and two equivalent S(2) atoms to form distorted InS4 tetrahedra that share corners with three equivalent In(1)S6 octahedra, corners with two equivalent In(2)S4 tetrahedra, and edges with two equivalent In(3)S6 octahedra. The corner-sharing octahedral tilt angles range from 63-85°. In the third In site, In(3) is bonded to two equivalent S(2) and four equivalent S(3) atoms to form InS6 octahedra that share corners with four equivalent In(1)S6 octahedra, edges with two equivalent In(3)S6 octahedra, and edges with four equivalent In(2)S4 tetrahedra. The corner-sharing octahedral tilt angles are 48°. There are four inequivalent S sites. In the first S site, S(1) is bonded in a 3-coordinate geometry to two equivalent K(1) and three equivalent In(1) atoms. In the second S site, S(2) is bonded to two equivalent K(1), one In(3), and two equivalent In(2) atoms to form distorted SK2In3 trigonal bipyramids that share corners with three equivalent S(2)K2In3 trigonal bipyramids, corners with two equivalent S(3)In4 trigonal pyramids, edges with three equivalent S(2)K2In3 trigonal bipyramids, and edges with two equivalent S(3)In4 trigonal pyramids. In the third S site, S(3) is bonded to one In(1), one In(2), and two equivalent In(3) atoms to form SIn4 trigonal pyramids that share corners with two equivalent S(2)K2In3 trigonal bipyramids, corners with four equivalent S(3)In4 trigonal pyramids, edges with two equivalent S(2)K2In3 trigonal bipyramids, and  an edgeedge with one S(3)In4 trigonal pyramid. In the fourth S site, S(4) is bonded in a distorted trigonal non-coplanar geometry to one In(2) and two equivalent In(1) atoms. is represented by the CIF file [CIF]
data_KIn5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.744
_cell_length_b   9.744
_cell_length_c   9.303
_cell_angle_alpha   77.060
_cell_angle_beta   77.060
_cell_angle_gamma   22.958
_symmetry_Int_Tables_number   1
_cell_volume   335.426
_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  0.500  0.500  0.500  1.0
  In  In1  1  0.287  0.287  0.338  1.0
  In  In2  1  0.355  0.355  0.908  1.0
  In  In3  1  0.645  0.645  0.092  1.0
  In  In4  1  0.713  0.713  0.662  1.0
  In  In5  1  0.000  0.000  0.000  1.0
  S  S6  1  0.165  0.165  0.524  1.0
  S  S7  1  0.069  0.069  0.216  1.0
  S  S8  1  0.931  0.931  0.784  1.0
  S  S9  1  0.415  0.415  0.124  1.0
  S  S10  1  0.585  0.585  0.876  1.0
  S  S11  1  0.238  0.238  0.846  1.0
  S  S12  1  0.762  0.762  0.154  1.0
  S  S13  1  0.835  0.835  0.476  1.0
[/CIF]
.