Materials Data on Li2(LuGe)3 by Materials Project

Abstract

Li2(LuGe)3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Li is bonded to four equivalent Lu and four Ge atoms to form a mixture of distorted edge, corner, and face-sharing LiLu4Ge4 tetrahedra. There are a spread of Li–Lu bond distances ranging from 3.16–3.30 Å. There are a spread of Li–Ge bond distances ranging from 2.52–2.68 Å. There are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to five Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.88–3.42 Å. In the second Lu site, Lu is bonded in a 4-coordinate geometry to four equivalent Li and six Ge atoms. There are a spread of Lu–Ge bond distances ranging from 2.97–3.09 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to two equivalent Li and seven Lu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, five Lu, and one Ge atom. The Ge–Ge bond length is 2.55 Å.