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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ReRu3 by Materials Project

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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re3Ru by Materials Project

Re3Ru is beta-derived structured and crystallizes in the orthorhombic Imm2 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 ReRe8Ru4 cuboctahedra that share corners with four equivalent RuRe10Ru2 cuboctahedra, corners with fourteen equivalent ReRe8Ru4 cuboctahedra, edges with four equivalent RuRe10Ru2 cuboctahedra, edges with fourteen ReRe8Ru4 cuboctahedra, faces with six equivalent RuRe10Ru2 cuboctahedra, and faces with fourteen ReRe8Ru4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.71–2.77 Å. There are two shorter (2.75 Å) and two longer (2.81 Å) Re–Ru bond lengths. In the second Re site, Re is bonded to nine Re and three equivalent Ru atoms to form distorted ReRe9Ru3 cuboctahedra that share corners with eighteen equivalent ReRe9Ru3 cuboctahedra, edges with six equivalent RuRe10Ru2 cuboctahedra, edges with twelve ReRe8Ru4 cuboctahedra, faces with six equivalent RuRe10Ru2 cuboctahedra, and faces with fourteen ReRe8Ru4 cuboctahedra. There are two shorter (2.77 Å) and four longer (2.78 Å) Re–Re bond lengths. There are two shorter (2.73 Å) and one longer (2.75 Å) Re–Ru bond lengths. Ru is bonded to ten Re and two equivalent Ru atoms to form RuRe10Ru2 cuboctahedra that share corners with four equivalent ReRe8Ru4 cuboctahedra, corners with fourteen equivalent RuRe10Ru2 cuboctahedra, edges with two equivalent RuRe10Ru2 cuboctahedra, edges with sixteen ReRe8Ru4 cuboctahedra, faces with two equivalent RuRe10Ru2 cuboctahedra, and faces with eighteen ReRe8Ru4 cuboctahedra. Both Ru–Ru bond lengths are 2.77 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Re3Ru by Materials Project

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.

36 MATERIALS SCIENCE↗