Materials Data on Li2CeGe by Materials Project

Abstract

Li2CeGe crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to one Li, three equivalent Ce, and four equivalent Ge atoms. The Li–Li bond length is 2.15 Å. All Li–Ce bond lengths are 2.87 Å. There are one shorter (2.64 Å) and three longer (2.97 Å) Li–Ge bond lengths. Ce is bonded to six equivalent Li and six equivalent Ge atoms to form a mixture of distorted face and corner-sharing CeLi6Ge6 cuboctahedra. All Ce–Ge bond lengths are 3.33 Å. Ge is bonded in a 2-coordinate geometry to eight equivalent Li and six equivalent Ce atoms.