Materials Data on YbTmS2 by Materials Project

Abstract

YbTmS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb is bonded to six equivalent S atoms to form YbS6 octahedra that share corners with six equivalent TmS6 octahedra, edges with six equivalent YbS6 octahedra, and edges with six equivalent TmS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Yb–S bond lengths are 2.79 Å. Tm is bonded to six equivalent S atoms to form TmS6 octahedra that share corners with six equivalent YbS6 octahedra, edges with six equivalent YbS6 octahedra, and edges with six equivalent TmS6 octahedra. The corner-sharing octahedral tilt angles are 2°. All Tm–S bond lengths are 2.73 Å. S is bonded to three equivalent Yb and three equivalent Tm atoms to form a mixture of edge and corner-sharing SYb3Tm3 octahedra. The corner-sharing octahedral tilt angles are 0°.