Materials Data on ReRu3 by Materials Project

Abstract

ReRu3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re is bonded to twelve equivalent Ru atoms to form ReRu12 cuboctahedra that share corners with six equivalent ReRu12 cuboctahedra, corners with twelve equivalent RuRe4Ru8 cuboctahedra, edges with eighteen equivalent RuRe4Ru8 cuboctahedra, faces with eight equivalent ReRu12 cuboctahedra, and faces with twelve equivalent RuRe4Ru8 cuboctahedra. There are six shorter (2.68 Å) and six longer (2.74 Å) Re–Ru bond lengths. Ru is bonded to four equivalent Re and eight equivalent Ru atoms to form distorted RuRe4Ru8 cuboctahedra that share corners with four equivalent ReRu12 cuboctahedra, corners with fourteen equivalent RuRe4Ru8 cuboctahedra, edges with six equivalent ReRu12 cuboctahedra, edges with twelve equivalent RuRe4Ru8 cuboctahedra, faces with four equivalent ReRu12 cuboctahedra, and faces with sixteen equivalent RuRe4Ru8 cuboctahedra. There are a spread of Ru–Ru bond distances ranging from 2.69–2.76 Å.