Materials Data on CuGe3 by Materials Project

Abstract

Ge3Cu is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu is bonded to twelve equivalent Ge atoms to form CuGe12 cuboctahedra that share corners with six equivalent CuGe12 cuboctahedra, corners with twelve equivalent GeCu4Ge8 cuboctahedra, edges with eighteen equivalent GeCu4Ge8 cuboctahedra, faces with eight equivalent CuGe12 cuboctahedra, and faces with twelve equivalent GeCu4Ge8 cuboctahedra. There are six shorter (2.85 Å) and six longer (2.92 Å) Cu–Ge bond lengths. Ge is bonded to four equivalent Cu and eight equivalent Ge atoms to form distorted GeCu4Ge8 cuboctahedra that share corners with four equivalent CuGe12 cuboctahedra, corners with fourteen equivalent GeCu4Ge8 cuboctahedra, edges with six equivalent CuGe12 cuboctahedra, edges with twelve equivalent GeCu4Ge8 cuboctahedra, faces with four equivalent CuGe12 cuboctahedra, and faces with sixteen equivalent GeCu4Ge8 cuboctahedra. There are a spread of Ge–Ge bond distances ranging from 2.80–3.03 Å.