Materials Data on LiYGe by Materials Project

Abstract

LiYGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Li is bonded to four Ge atoms to form a mixture of distorted edge and corner-sharing LiGe4 tetrahedra. There are two shorter (2.70 Å) and two longer (2.79 Å) Li–Ge bond lengths. Y is bonded in a 5-coordinate geometry to five Ge atoms. All Y–Ge bond lengths are 3.00 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Li and three equivalent Y atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li and six equivalent Y atoms.