Materials Data on GeAu3 by Materials Project

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.

Au₃Ge具有类β-Cu₃Ti结构，结晶于六方晶系P6₃/mmc空间群，其结构为三维结构。Au1⁻与八个等价的Au1⁻原子及四个等价的Ge³⁺原子配位，形成畸变的AuGe₄Au₈立方八面体（cuboctahedra）；该配位多面体分别与四个等价的GeAu₁₂立方八面体、十四个等价的AuGe₄Au₈立方八面体共顶角，与六个等价的GeAu₁₂立方八面体、十二个等价的AuGe₄Au₈立方八面体共棱，与四个等价的GeAu₁₂立方八面体、十六个等价的AuGe₄Au₈立方八面体共面。Au-Au键的键长分布范围为2.87~3.07 Å。Au-Ge键的键长分为两组：两个键长为2.88 Å（较短），两个键长为3.07 Å（较长）。Ge³⁺与十二个等价的Au1⁻原子配位，形成GeAu₁₂立方八面体；该配位多面体分别与六个等价的GeAu₁₂立方八面体、十二个等价的AuGe₄Au₈立方八面体共顶角，与十八个等价的AuGe₄Au₈立方八面体共棱，与八个等价的GeAu₁₂立方八面体、十二个等价的AuGe₄Au₈立方八面体共面。