The structure described by TlInS2 crystallizes in the monoclinic C2/m space group. Tl(1) is bonded to two equivalent In(1) and six equivalent S(1) atoms to form a mixture of edge and corner-sharing TlIn2S6 hexagonal bipyramids. In(1) is bonded in a distorted square co-planar geometry to two equivalent Tl(1) and two equivalent S(1) atoms. S(1) is bonded in a 5-coordinate geometry to three equivalent Tl(1), one In(1), and one S(1) atom. is represented by the CIF file [CIF]
data_TlInS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.657
_cell_length_b   4.657
_cell_length_c   6.528
_cell_angle_alpha   68.002
_cell_angle_beta   68.002
_cell_angle_gamma   81.071
_symmetry_Int_Tables_number   1
_cell_volume   121.673
_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  0.000  0.000  0.000  1.0
  In  In1  1  0.000  0.000  0.500  1.0
  S  S2  1  0.512  0.512  0.833  1.0
  S  S3  1  0.488  0.488  0.167  1.0
[/CIF]
.
The structure described by TlInS2 crystallizes in the monoclinic C2/m space group. Tl(1) is bonded to two equivalent In(1) and six equivalent S(1) atoms to form a mixture of edge and corner-sharing TlIn2S6 hexagonal bipyramids. In(1) is bonded in a distorted square co-planar geometry to two equivalent Tl(1) and two equivalent S(1) atoms. S(1) is bonded in a 5-coordinate geometry to three equivalent Tl(1), one In(1), and one S(1) atom. is represented by the CIF file [CIF]
data_TlInS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.657
_cell_length_b   4.657
_cell_length_c   6.528
_cell_angle_alpha   68.002
_cell_angle_beta   68.002
_cell_angle_gamma   81.071
_symmetry_Int_Tables_number   1
_cell_volume   121.673
_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  0.000  0.000  0.000  1.0
  In  In1  1  0.000  0.000  0.500  1.0
  S  S2  1  0.512  0.512  0.833  1.0
  S  S3  1  0.488  0.488  0.167  1.0
[/CIF]
.