Materials Data on YbAgS2 by Materials Project

Abstract

YbAgS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb3+ is bonded to six equivalent S2- atoms to form YbS6 octahedra that share corners with six equivalent AgS6 octahedra, edges with six equivalent YbS6 octahedra, and edges with six equivalent AgS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Yb–S bond lengths are 2.79 Å. Ag1+ is bonded to six equivalent S2- atoms to form AgS6 octahedra that share corners with six equivalent YbS6 octahedra, edges with six equivalent YbS6 octahedra, and edges with six equivalent AgS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Ag–S bond lengths are 2.72 Å. S2- is bonded to three equivalent Yb3+ and three equivalent Ag1+ atoms to form a mixture of corner and edge-sharing SYb3Ag3 octahedra. The corner-sharing octahedral tilt angles are 0°.