Materials Data on LiZnGe by Materials Project

Abstract

LiZnGe crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 12-coordinate geometry to six Zn and six Ge atoms. There are three shorter (2.76 Å) and three longer (2.91 Å) Li–Zn bond lengths. There are three shorter (2.91 Å) and three longer (3.11 Å) Li–Ge bond lengths. In the second Li site, Li is bonded in a 6-coordinate geometry to six equivalent Ge atoms. All Li–Ge bond lengths are 2.79 Å. There are two inequivalent Zn sites. In the first Zn site, Zn is bonded in a 10-coordinate geometry to three equivalent Li and four Ge atoms. There are three shorter (2.56 Å) and one longer (2.77 Å) Zn–Ge bond lengths. In the second Zn site, Zn is bonded in a 9-coordinate geometry to six equivalent Li and three equivalent Ge atoms. All Zn–Ge bond lengths are 2.47 Å. There are two 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 2.57 Å. In the second Ge site, Ge is bonded in a 11-coordinate geometry to six equivalent Li and five Zn atoms.