Materials Data on YbTmSe2 by Materials Project

Abstract

YbTmSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Yb is bonded to six equivalent Se atoms to form YbSe6 octahedra that share corners with six equivalent TmSe6 octahedra, edges with six equivalent YbSe6 octahedra, and edges with six equivalent TmSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Yb–Se bond lengths are 2.91 Å. Tm is bonded to six equivalent Se atoms to form TmSe6 octahedra that share corners with six equivalent YbSe6 octahedra, edges with six equivalent YbSe6 octahedra, and edges with six equivalent TmSe6 octahedra. The corner-sharing octahedral tilt angles are 1°. All Tm–Se bond lengths are 2.86 Å. Se is bonded to three equivalent Yb and three equivalent Tm atoms to form a mixture of edge and corner-sharing SeYb3Tm3 octahedra. The corner-sharing octahedral tilt angles are 0°.