Materials Data on Li4Yb5Ge4 by Materials Project

Abstract

Li4Yb5Ge4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to three equivalent Ge atoms. There are two shorter (2.70 Å) and one longer (2.86 Å) Li–Ge bond lengths. There are two inequivalent Yb sites. In the first Yb site, Yb is bonded in a 5-coordinate geometry to five equivalent Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.09–3.15 Å. In the second Yb site, Yb is bonded in a square co-planar geometry to four equivalent Ge atoms. All Yb–Ge bond lengths are 3.17 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Li and six Yb atoms.