Materials Data on Yb(AlGe)2 by Materials Project

Abstract

YbAl2Ge2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Yb is bonded to six equivalent Ge atoms to form YbGe6 octahedra that share corners with twelve equivalent AlGe4 tetrahedra, edges with six equivalent YbGe6 octahedra, and edges with six equivalent AlGe4 tetrahedra. All Yb–Ge bond lengths are 3.01 Å. Al is bonded to four equivalent Ge atoms to form AlGe4 tetrahedra that share corners with six equivalent YbGe6 octahedra, corners with six equivalent AlGe4 tetrahedra, edges with three equivalent YbGe6 octahedra, and edges with three equivalent AlGe4 tetrahedra. The corner-sharing octahedra tilt angles range from 18–53°. There are three shorter (2.55 Å) and one longer (2.66 Å) Al–Ge bond lengths. Ge is bonded to three equivalent Yb and four equivalent Al atoms to form a mixture of distorted corner and edge-sharing GeYb3Al4 pentagonal bipyramids.