The crystal structure described by TlSbS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Tl(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form TlS6 octahedra that share corners with six equivalent Tl(1)S6 octahedra, edges with four equivalent Tl(1)S6 octahedra, and edges with eight equivalent Sb(1)S6 octahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SbS6 octahedra that share corners with six equivalent Sb(1)S6 octahedra, edges with four equivalent Sb(1)S6 octahedra, and edges with eight equivalent Tl(1)S6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Tl(1) and four equivalent Sb(1) atoms to form STl2Sb4 octahedra that share corners with six equivalent S(1)Tl2Sb4 octahedra, edges with four equivalent S(1)Tl2Sb4 octahedra, and edges with eight equivalent S(2)Tl4Sb2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to four equivalent Tl(1) and two equivalent Sb(1) atoms to form STl4Sb2 octahedra that share corners with six equivalent S(2)Tl4Sb2 octahedra, edges with four equivalent S(2)Tl4Sb2 octahedra, and edges with eight equivalent S(1)Tl2Sb4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlSbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.123
_cell_length_b   4.123
_cell_length_c   5.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   99.036
_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
  Sb  Sb1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.500  0.500  0.000  1.0
[/CIF]
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The crystal structure described by TlSbS2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Tl(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form TlS6 octahedra that share corners with six equivalent Tl(1)S6 octahedra, edges with four equivalent Tl(1)S6 octahedra, and edges with eight equivalent Sb(1)S6 octahedra. The corner-sharing octahedra are not tilted. Sb(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form SbS6 octahedra that share corners with six equivalent Sb(1)S6 octahedra, edges with four equivalent Sb(1)S6 octahedra, and edges with eight equivalent Tl(1)S6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Tl(1) and four equivalent Sb(1) atoms to form STl2Sb4 octahedra that share corners with six equivalent S(1)Tl2Sb4 octahedra, edges with four equivalent S(1)Tl2Sb4 octahedra, and edges with eight equivalent S(2)Tl4Sb2 octahedra. The corner-sharing octahedra are not tilted. In the second S site, S(2) is bonded to four equivalent Tl(1) and two equivalent Sb(1) atoms to form STl4Sb2 octahedra that share corners with six equivalent S(2)Tl4Sb2 octahedra, edges with four equivalent S(2)Tl4Sb2 octahedra, and edges with eight equivalent S(1)Tl2Sb4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_TlSbS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.123
_cell_length_b   4.123
_cell_length_c   5.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   99.036
_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
  Sb  Sb1  1  0.500  0.500  0.500  1.0
  S  S2  1  0.000  0.000  0.500  1.0
  S  S3  1  0.500  0.500  0.000  1.0
[/CIF]
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