Materials Data on TlCdS2 by Materials Project
CdTlS2 is Caswellsilverite-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cd2+ is bonded to six equivalent S+1.50- atoms to form CdS6 octahedra that share corners with twelve equivalent TlS6 octahedra, edges with six equivalent CdS6 octahedra, and faces with two equivalent TlS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Cd–S bond lengths are 2.75 Å. Tl1+ is bonded to six equivalent S+1.50- atoms to form TlS6 octahedra that share corners with twelve equivalent CdS6 octahedra, edges with six equivalent TlS6 octahedra, and faces with two equivalent CdS6 octahedra. The corner-sharing octahedral tilt angles are 47°. All Tl–S bond lengths are 2.99 Å. S+1.50- is bonded in a 6-coordinate geometry to three equivalent Cd2+ and three equivalent Tl1+ atoms.