The material structure described by TlBiS2 crystallizes in the tetragonal I4_1/amd space group. Tl(1) is bonded in a square co-planar geometry to four equivalent S(1) atoms. Bi(1) is bonded to six equivalent S(1) atoms to form a mixture of corner and edge-sharing BiS6 octahedra. The corner-sharing octahedral tilt angles are 10°. S(1) is bonded to two equivalent Tl(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing STl2Bi3 square pyramids. is represented by the CIF card [CIF]
data_TlBiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.452
_cell_length_b   7.452
_cell_length_c   7.452
_cell_angle_alpha   132.879
_cell_angle_beta   132.879
_cell_angle_gamma   68.844
_symmetry_Int_Tables_number   1
_cell_volume   218.143
_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
  Tl  Tl0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.750  0.250  0.500  1.0
  Bi  Bi2  1  0.250  0.750  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.728  0.728  0.000  1.0
  S  S5  1  0.272  0.272  0.000  1.0
  S  S6  1  0.022  0.522  0.500  1.0
  S  S7  1  0.478  0.978  0.500  1.0
[/CIF]
.
The material structure described by TlBiS2 crystallizes in the tetragonal I4_1/amd space group. Tl(1) is bonded in a square co-planar geometry to four equivalent S(1) atoms. Bi(1) is bonded to six equivalent S(1) atoms to form a mixture of corner and edge-sharing BiS6 octahedra. The corner-sharing octahedral tilt angles are 10°. S(1) is bonded to two equivalent Tl(1) and three equivalent Bi(1) atoms to form a mixture of corner and edge-sharing STl2Bi3 square pyramids. is represented by the CIF card [CIF]
data_TlBiS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.452
_cell_length_b   7.452
_cell_length_c   7.452
_cell_angle_alpha   132.879
_cell_angle_beta   132.879
_cell_angle_gamma   68.844
_symmetry_Int_Tables_number   1
_cell_volume   218.143
_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
  Tl  Tl0  1  0.000  0.000  0.000  1.0
  Tl  Tl1  1  0.750  0.250  0.500  1.0
  Bi  Bi2  1  0.250  0.750  0.500  1.0
  Bi  Bi3  1  0.500  0.500  0.000  1.0
  S  S4  1  0.728  0.728  0.000  1.0
  S  S5  1  0.272  0.272  0.000  1.0
  S  S6  1  0.022  0.522  0.500  1.0
  S  S7  1  0.478  0.978  0.500  1.0
[/CIF]
.