DOE OSTI2020
Re3Ru is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Re sites. In the first Re site, Re is bonded to eight Re and four equivalent Ru atoms to form distorted ReRe8Ru4 cuboctahedra that share corners with four equivalent RuRe12 cuboctahedra, corners with fourteen equivalent ReRe8Ru4 cuboctahedra, edges with six equivalent RuRe12 cuboctahedra, edges with twelve ReRe8Ru4 cuboctahedra, faces with four equivalent RuRe12 cuboctahedra, and faces with sixteen ReRe8Ru4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.72–2.82 Å. There are two shorter (2.75 Å) and two longer (2.78 Å) Re–Ru bond lengths. In the second Re site, Re is bonded to eight equivalent Re and four equivalent Ru atoms to form distorted ReRe8Ru4 cuboctahedra that share corners with four equivalent RuRe12 cuboctahedra, corners with fourteen ReRe8Ru4 cuboctahedra, edges with six equivalent RuRe12 cuboctahedra, edges with twelve equivalent ReRe8Ru4 cuboctahedra, faces with four equivalent RuRe12 cuboctahedra, and faces with sixteen ReRe8Ru4 cuboctahedra. There are two shorter (2.75 Å) and two longer (2.78 Å) Re–Ru bond lengths. Ru is bonded to twelve Re atoms to form RuRe12 cuboctahedra that share corners with six equivalent RuRe12 cuboctahedra, corners with twelve ReRe8Ru4 cuboctahedra, edges with eighteen ReRe8Ru4 cuboctahedra, faces with eight equivalent RuRe12 cuboctahedra, and faces with twelve ReRe8Ru4 cuboctahedra.