Materials Data on Li2Cu3Ge by Materials Project
Li2Cu3Ge is Hexagonal Laves-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Li is bonded in a 12-coordinate geometry to nine equivalent Cu and three equivalent Ge atoms. There are three shorter (2.84 Å) and six longer (2.90 Å) Li–Cu bond lengths. All Li–Ge bond lengths are 2.91 Å. Cu is bonded to six equivalent Li, four equivalent Cu, and two equivalent Ge atoms to form CuLi6Cu4Ge2 cuboctahedra that share corners with four equivalent GeLi6Cu6 cuboctahedra, corners with fourteen equivalent CuLi6Cu4Ge2 cuboctahedra, edges with six equivalent CuLi6Cu4Ge2 cuboctahedra, faces with six equivalent GeLi6Cu6 cuboctahedra, and faces with twelve equivalent CuLi6Cu4Ge2 cuboctahedra. All Cu–Cu bond lengths are 2.48 Å. Both Cu–Ge bond lengths are 2.44 Å. Ge is bonded to six equivalent Li and six equivalent Cu atoms to form GeLi6Cu6 cuboctahedra that share corners with six equivalent GeLi6Cu6 cuboctahedra, corners with twelve equivalent CuLi6Cu4Ge2 cuboctahedra, edges with six equivalent GeLi6Cu6 cuboctahedra, and faces with eighteen equivalent CuLi6Cu4Ge2 cuboctahedra.