The compound described by TlBiTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Tl(1) is bonded to six equivalent Te(1) atoms to form TlTe6 octahedra that share corners with six equivalent Bi(1)Te6 octahedra, edges with six equivalent Tl(1)Te6 octahedra, and edges with six equivalent Bi(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 6°. Bi(1) is bonded to six equivalent Te(1) atoms to form BiTe6 octahedra that share corners with six equivalent Tl(1)Te6 octahedra, edges with six equivalent Tl(1)Te6 octahedra, and edges with six equivalent Bi(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 6°. Te(1) is bonded to three equivalent Tl(1) and three equivalent Bi(1) atoms to form a mixture of edge and corner-sharing TeTl3Bi3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TlBiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.386
_cell_length_b   8.386
_cell_length_c   8.386
_cell_angle_alpha   31.501
_cell_angle_beta   31.501
_cell_angle_gamma   31.501
_symmetry_Int_Tables_number   1
_cell_volume   142.963
_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  0.500  0.500  0.500  1.0
  Bi  Bi1  1  0.000  0.000  0.000  1.0
  Te  Te2  1  0.741  0.741  0.741  1.0
  Te  Te3  1  0.259  0.259  0.259  1.0
[/CIF]
.
The compound described by TlBiTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. Tl(1) is bonded to six equivalent Te(1) atoms to form TlTe6 octahedra that share corners with six equivalent Bi(1)Te6 octahedra, edges with six equivalent Tl(1)Te6 octahedra, and edges with six equivalent Bi(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 6°. Bi(1) is bonded to six equivalent Te(1) atoms to form BiTe6 octahedra that share corners with six equivalent Tl(1)Te6 octahedra, edges with six equivalent Tl(1)Te6 octahedra, and edges with six equivalent Bi(1)Te6 octahedra. The corner-sharing octahedral tilt angles are 6°. Te(1) is bonded to three equivalent Tl(1) and three equivalent Bi(1) atoms to form a mixture of edge and corner-sharing TeTl3Bi3 octahedra. The corner-sharing octahedra are not tilted. is represented by the CIF file [CIF]
data_TlBiTe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.386
_cell_length_b   8.386
_cell_length_c   8.386
_cell_angle_alpha   31.501
_cell_angle_beta   31.501
_cell_angle_gamma   31.501
_symmetry_Int_Tables_number   1
_cell_volume   142.963
_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  0.500  0.500  0.500  1.0
  Bi  Bi1  1  0.000  0.000  0.000  1.0
  Te  Te2  1  0.741  0.741  0.741  1.0
  Te  Te3  1  0.259  0.259  0.259  1.0
[/CIF]
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