Materials Data on Yb2AlGe3 by Materials Project
Yb2AlGe3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 7-coordinate geometry to three equivalent Al and seven Ge atoms. There are one shorter (3.31 Å) and two longer (3.34 Å) Yb–Al bond lengths. There are a spread of Yb–Ge bond distances ranging from 3.04–3.21 Å. In the second Yb site, Yb is bonded in a 9-coordinate geometry to nine Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.04–3.23 Å. Al is bonded to three equivalent Yb and four Ge atoms to form distorted AlYb3Ge4 tetrahedra that share corners with seven equivalent GeYb4Al3 pentagonal bipyramids, an edgeedge with one GeYb4Al3 pentagonal bipyramid, edges with two equivalent AlYb3Ge4 tetrahedra, and faces with two equivalent AlYb3Ge4 tetrahedra. There are a spread of Al–Ge bond distances ranging from 2.58–2.63 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded to four Yb and three equivalent Al atoms to form distorted GeYb4Al3 pentagonal bipyramids that share corners with seven equivalent AlYb3Ge4 tetrahedra, edges with six equivalent GeYb4Al3 pentagonal bipyramids, and an edgeedge with one AlYb3Ge4 tetrahedra. In the second Ge site, Ge is bonded in a 8-coordinate geometry to six Yb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.52 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to six Yb, one Al, and two equivalent Ge atoms.