Materials Data on TmTlTe2 by Materials Project
TmTlTe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent Te2- atoms to form TmTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with six equivalent TmTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tm–Te bond lengths are 3.07 Å. Tl1+ is bonded to six equivalent Te2- atoms to form distorted TlTe6 octahedra that share corners with six equivalent TmTe6 octahedra, edges with six equivalent TmTe6 octahedra, and edges with six equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–Te bond lengths are 3.50 Å. Te2- is bonded to three equivalent Tm3+ and three equivalent Tl1+ atoms to form a mixture of corner and edge-sharing TeTm3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.