Materials Data on GeAu3 by Materials Project

Abstract

Au3Ge is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Au1- is bonded to eight equivalent Au1- and four equivalent Ge3+ atoms to form distorted AuGe4Au8 cuboctahedra that share corners with four equivalent GeAu12 cuboctahedra, corners with fourteen equivalent AuGe4Au8 cuboctahedra, edges with six equivalent GeAu12 cuboctahedra, edges with twelve equivalent AuGe4Au8 cuboctahedra, faces with four equivalent GeAu12 cuboctahedra, and faces with sixteen equivalent AuGe4Au8 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.87–3.07 Å. There are two shorter (2.88 Å) and two longer (3.07 Å) Au–Ge bond lengths. Ge3+ is bonded to twelve equivalent Au1- atoms to form GeAu12 cuboctahedra that share corners with six equivalent GeAu12 cuboctahedra, corners with twelve equivalent AuGe4Au8 cuboctahedra, edges with eighteen equivalent AuGe4Au8 cuboctahedra, faces with eight equivalent GeAu12 cuboctahedra, and faces with twelve equivalent AuGe4Au8 cuboctahedra.