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.
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°. All Tl(1)-Te(1) bond lengths are 3.44 Å. 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°. All Bi(1)-Te(1) bond lengths are 3.17 Å. 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.