Materials Data on Li2ZnGe3 by Materials Project

Abstract

Li2ZnGe3 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 9-coordinate geometry to three equivalent Zn and six Ge atoms. All Li–Zn bond lengths are 2.72 Å. There are three shorter (2.84 Å) and three longer (3.02 Å) Li–Ge bond lengths. In the second Li site, Li is bonded in a 9-coordinate geometry to three equivalent Zn and six Ge atoms. All Li–Zn bond lengths are 3.01 Å. There are three shorter (2.72 Å) and three longer (2.82 Å) Li–Ge bond lengths. Zn is bonded in a 10-coordinate geometry to six Li and four Ge atoms. There are three shorter (2.50 Å) and one longer (2.67 Å) Zn–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 10-coordinate geometry to six Li, three equivalent Zn, and one Ge atom. The Ge–Ge bond length is 2.63 Å. In the second Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Li and four Ge atoms. All Ge–Ge bond lengths are 2.62 Å. In the third Ge site, Ge is bonded in a 7-coordinate geometry to three equivalent Li, one Zn, and three equivalent Ge atoms.