Materials Data on RuAu3 by Materials Project

Abstract

RuAu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ru3+ is bonded to twelve equivalent Au1- atoms to form RuAu12 cuboctahedra that share corners with six equivalent RuAu12 cuboctahedra, corners with twelve equivalent AuRu4Au8 cuboctahedra, edges with eighteen equivalent AuRu4Au8 cuboctahedra, faces with eight equivalent RuAu12 cuboctahedra, and faces with twelve equivalent AuRu4Au8 cuboctahedra. There are six shorter (2.88 Å) and six longer (2.92 Å) Ru–Au bond lengths. Au1- is bonded to four equivalent Ru3+ and eight equivalent Au1- atoms to form distorted AuRu4Au8 cuboctahedra that share corners with four equivalent RuAu12 cuboctahedra, corners with fourteen equivalent AuRu4Au8 cuboctahedra, edges with six equivalent RuAu12 cuboctahedra, edges with twelve equivalent AuRu4Au8 cuboctahedra, faces with four equivalent RuAu12 cuboctahedra, and faces with sixteen equivalent AuRu4Au8 cuboctahedra. There are a spread of Au–Au bond distances ranging from 2.88–2.96 Å.