The structure described by TlIn5S8 crystallizes in the triclinic P1 space group. Tl(1) is bonded in a 2-coordinate geometry to two equivalent S(2) atoms. There are five inequivalent In sites. In the first In site, In(1) is bonded to one S(1), one S(8), two equivalent S(4), and two equivalent S(5) atoms to form InS6 octahedra that share corners with two equivalent In(2)S6 octahedra, corners with two equivalent In(5)S6 octahedra, edges with two equivalent In(1)S6 octahedra, and edges with two equivalent In(4)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second In site, In(2) is bonded to one S(2), one S(4), two equivalent S(6), and two equivalent S(7) atoms to form InS6 octahedra that share corners with two equivalent In(1)S6 octahedra, corners with two equivalent In(4)S4 tetrahedra, edges with two equivalent In(2)S6 octahedra, and edges with two equivalent In(5)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third In site, In(3) is bonded in a 5-coordinate geometry to one S(3), one S(4), one S(6), and two equivalent S(8) atoms. In the fourth In site, In(4) is bonded to one S(5), one S(6), and two equivalent S(1) atoms to form distorted InS4 tetrahedra that share  a cornercorner with one In(5)S6 octahedra, corners with two equivalent In(2)S6 octahedra, corners with two equivalent In(4)S4 tetrahedra, and edges with two equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 61-86°. In the fifth In site, In(5) is bonded to one S(5), one S(7), two equivalent S(2), and two equivalent S(3) atoms to form InS6 octahedra that share corners with two equivalent In(1)S6 octahedra,  a cornercorner with one In(4)S4 tetrahedra, edges with two equivalent In(2)S6 octahedra, and edges with two equivalent In(5)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one In(1) and two equivalent In(4) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Tl(1), one In(2), and two equivalent In(5) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one In(3) and two equivalent In(5) atoms. In the fourth S site, S(4) is bonded to one In(2), one In(3), and two equivalent In(1) atoms to form a mixture of edge and corner-sharing SIn4 trigonal pyramids. In the fifth S site, S(5) is bonded to one In(4), one In(5), and two equivalent In(1) atoms to form a mixture of edge and corner-sharing SIn4 trigonal pyramids. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to one In(3), one In(4), and two equivalent In(2) atoms. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one In(5) and two equivalent In(2) atoms. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one In(1) and two equivalent In(3) atoms. is represented by the CIF card [CIF]
data_TlIn5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.118
_cell_length_b   9.387
_cell_length_c   9.688
_cell_angle_alpha   104.797
_cell_angle_beta   101.553
_cell_angle_gamma   90.021
_symmetry_Int_Tables_number   1
_cell_volume   354.221
_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
  Tl  Tl0  1  0.535  0.481  0.066  1.0
  In  In1  1  0.999  1.000  0.998  1.0
  In  In2  1  0.285  0.662  0.576  1.0
  In  In3  1  0.371  0.083  0.706  1.0
  In  In4  1  0.632  0.914  0.290  1.0
  In  In5  1  0.721  0.333  0.431  1.0
  S  S6  1  0.061  0.794  0.134  1.0
  S  S7  1  0.167  0.469  0.329  1.0
  S  S8  1  0.242  0.157  0.479  1.0
  S  S9  1  0.411  0.874  0.825  1.0
  S  S10  1  0.588  0.127  0.175  1.0
  S  S11  1  0.748  0.849  0.521  1.0
  S  S12  1  0.829  0.532  0.666  1.0
  S  S13  1  0.940  0.205  0.865  1.0
[/CIF]
.
The structure described by TlIn5S8 crystallizes in the triclinic P1 space group. Tl(1) is bonded in a 2-coordinate geometry to two equivalent S(2) atoms. There are five inequivalent In sites. In the first In site, In(1) is bonded to one S(1), one S(8), two equivalent S(4), and two equivalent S(5) atoms to form InS6 octahedra that share corners with two equivalent In(2)S6 octahedra, corners with two equivalent In(5)S6 octahedra, edges with two equivalent In(1)S6 octahedra, and edges with two equivalent In(4)S4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second In site, In(2) is bonded to one S(2), one S(4), two equivalent S(6), and two equivalent S(7) atoms to form InS6 octahedra that share corners with two equivalent In(1)S6 octahedra, corners with two equivalent In(4)S4 tetrahedra, edges with two equivalent In(2)S6 octahedra, and edges with two equivalent In(5)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the third In site, In(3) is bonded in a 5-coordinate geometry to one S(3), one S(4), one S(6), and two equivalent S(8) atoms. In the fourth In site, In(4) is bonded to one S(5), one S(6), and two equivalent S(1) atoms to form distorted InS4 tetrahedra that share  a cornercorner with one In(5)S6 octahedra, corners with two equivalent In(2)S6 octahedra, corners with two equivalent In(4)S4 tetrahedra, and edges with two equivalent In(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 61-86°. In the fifth In site, In(5) is bonded to one S(5), one S(7), two equivalent S(2), and two equivalent S(3) atoms to form InS6 octahedra that share corners with two equivalent In(1)S6 octahedra,  a cornercorner with one In(4)S4 tetrahedra, edges with two equivalent In(2)S6 octahedra, and edges with two equivalent In(5)S6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. There are eight inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to one In(1) and two equivalent In(4) atoms. In the second S site, S(2) is bonded in a 3-coordinate geometry to two equivalent Tl(1), one In(2), and two equivalent In(5) atoms. In the third S site, S(3) is bonded in a 3-coordinate geometry to one In(3) and two equivalent In(5) atoms. In the fourth S site, S(4) is bonded to one In(2), one In(3), and two equivalent In(1) atoms to form a mixture of edge and corner-sharing SIn4 trigonal pyramids. In the fifth S site, S(5) is bonded to one In(4), one In(5), and two equivalent In(1) atoms to form a mixture of edge and corner-sharing SIn4 trigonal pyramids. In the sixth S site, S(6) is bonded in a 4-coordinate geometry to one In(3), one In(4), and two equivalent In(2) atoms. In the seventh S site, S(7) is bonded in a distorted T-shaped geometry to one In(5) and two equivalent In(2) atoms. In the eighth S site, S(8) is bonded in a distorted T-shaped geometry to one In(1) and two equivalent In(3) atoms. is represented by the CIF card [CIF]
data_TlIn5S8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.118
_cell_length_b   9.387
_cell_length_c   9.688
_cell_angle_alpha   104.797
_cell_angle_beta   101.553
_cell_angle_gamma   90.021
_symmetry_Int_Tables_number   1
_cell_volume   354.221
_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
  Tl  Tl0  1  0.535  0.481  0.066  1.0
  In  In1  1  0.999  1.000  0.998  1.0
  In  In2  1  0.285  0.662  0.576  1.0
  In  In3  1  0.371  0.083  0.706  1.0
  In  In4  1  0.632  0.914  0.290  1.0
  In  In5  1  0.721  0.333  0.431  1.0
  S  S6  1  0.061  0.794  0.134  1.0
  S  S7  1  0.167  0.469  0.329  1.0
  S  S8  1  0.242  0.157  0.479  1.0
  S  S9  1  0.411  0.874  0.825  1.0
  S  S10  1  0.588  0.127  0.175  1.0
  S  S11  1  0.748  0.849  0.521  1.0
  S  S12  1  0.829  0.532  0.666  1.0
  S  S13  1  0.940  0.205  0.865  1.0
[/CIF]
.