Materials Data on LiCaGe2 by Materials Project

Abstract

LiCaGe2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.63–2.79 Å. Ca is bonded in a 6-coordinate geometry to nine Ge atoms. There are a spread of Ca–Ge bond distances ranging from 3.11–3.40 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li, four equivalent Ca, and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.51 Å. In the second Ge site, Ge is bonded in a 1-coordinate geometry to two equivalent Li, five equivalent Ca, and two equivalent Ge atoms.