The structure described by CdTlS2 is Caswellsilverite-like structured and crystallizes in the hexagonal P-6m2 space group. Cd(1) is bonded to six equivalent S(1) atoms to form distorted CdS6 pentagonal pyramids that share corners with six equivalent Tl(1)S6 pentagonal pyramids, edges with six equivalent Cd(1)S6 pentagonal pyramids, and edges with six equivalent Tl(1)S6 pentagonal pyramids. Tl(1) is bonded to six equivalent S(1) atoms to form distorted TlS6 pentagonal pyramids that share corners with six equivalent Cd(1)S6 pentagonal pyramids, edges with six equivalent Cd(1)S6 pentagonal pyramids, and edges with six equivalent Tl(1)S6 pentagonal pyramids. S(1) is bonded to three equivalent Cd(1) and three equivalent Tl(1) atoms to form a mixture of corner, face, and edge-sharing STl3Cd3 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. is represented by the CIF card [CIF]
data_TlCdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.886
_cell_length_b   3.886
_cell_length_c   7.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   92.551
_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  0.500  1.0
  Cd  Cd1  1  0.333  0.667  0.000  1.0
  S  S2  1  0.667  0.333  0.228  1.0
  S  S3  1  0.667  0.333  0.772  1.0
[/CIF]
.
The structure described by CdTlS2 is Caswellsilverite-like structured and crystallizes in the hexagonal P-6m2 space group. Cd(1) is bonded to six equivalent S(1) atoms to form distorted CdS6 pentagonal pyramids that share corners with six equivalent Tl(1)S6 pentagonal pyramids, edges with six equivalent Cd(1)S6 pentagonal pyramids, and edges with six equivalent Tl(1)S6 pentagonal pyramids. Tl(1) is bonded to six equivalent S(1) atoms to form distorted TlS6 pentagonal pyramids that share corners with six equivalent Cd(1)S6 pentagonal pyramids, edges with six equivalent Cd(1)S6 pentagonal pyramids, and edges with six equivalent Tl(1)S6 pentagonal pyramids. S(1) is bonded to three equivalent Cd(1) and three equivalent Tl(1) atoms to form a mixture of corner, face, and edge-sharing STl3Cd3 octahedra. The corner-sharing octahedral tilt angles range from 45-48°. is represented by the CIF card [CIF]
data_TlCdS2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.886
_cell_length_b   3.886
_cell_length_c   7.075
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   92.551
_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  0.500  1.0
  Cd  Cd1  1  0.333  0.667  0.000  1.0
  S  S2  1  0.667  0.333  0.228  1.0
  S  S3  1  0.667  0.333  0.772  1.0
[/CIF]
.