Materials Data on Li2CuGe by Materials Project

Abstract

Li2CuGe crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to four equivalent Cu and four equivalent Ge atoms. There are a spread of Li–Cu bond distances ranging from 2.55–2.62 Å. There are a spread of Li–Ge bond distances ranging from 2.84–2.92 Å. In the second Li site, Li is bonded in a 4-coordinate geometry to four equivalent Cu and four equivalent Ge atoms. There are a spread of Li–Cu bond distances ranging from 2.83–2.92 Å. There are a spread of Li–Ge bond distances ranging from 2.54–2.64 Å. Cu is bonded in a 12-coordinate geometry to eight Li and four equivalent Ge atoms. There are two shorter (2.56 Å) and two longer (2.60 Å) Cu–Ge bond lengths. Ge is bonded in a 12-coordinate geometry to eight Li and four equivalent Cu atoms.