Materials Data on TlSbTe2 by Materials Project
TlSbTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tl1+ is bonded to six equivalent Te2- atoms to form TlTe6 octahedra that share corners with six equivalent SbTe6 octahedra, edges with six equivalent TlTe6 octahedra, and edges with six equivalent SbTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Tl–Te bond lengths are 3.42 Å. Sb3+ is bonded to six equivalent Te2- atoms to form SbTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent TlTe6 octahedra, and edges with six equivalent SbTe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Sb–Te bond lengths are 3.12 Å. Te2- is bonded to three equivalent Tl1+ and three equivalent Sb3+ atoms to form a mixture of edge and corner-sharing TeTl3Sb3 octahedra. The corner-sharing octahedral tilt angles are 0°.