Materials Data on TmAgS2 by Materials Project

Abstract

TmAgS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tm3+ is bonded to six equivalent S2- atoms to form TmS6 octahedra that share corners with six equivalent AgS6 octahedra, edges with six equivalent TmS6 octahedra, and edges with six equivalent AgS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Tm–S bond lengths are 2.72 Å. Ag1+ is bonded to six equivalent S2- atoms to form AgS6 octahedra that share corners with six equivalent TmS6 octahedra, edges with six equivalent TmS6 octahedra, and edges with six equivalent AgS6 octahedra. The corner-sharing octahedral tilt angles are 3°. All Ag–S bond lengths are 2.82 Å. S2- is bonded to three equivalent Tm3+ and three equivalent Ag1+ atoms to form a mixture of edge and corner-sharing STm3Ag3 octahedra. The corner-sharing octahedral tilt angles are 0°.