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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CoRu by Materials Project

RuCo crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ru is bonded to six equivalent Ru and six equivalent Co atoms to form distorted RuCo6Ru6 cuboctahedra that share corners with eighteen equivalent RuCo6Ru6 cuboctahedra, edges with six equivalent RuCo6Ru6 cuboctahedra, edges with twelve equivalent CoCo6Ru6 cuboctahedra, faces with eight equivalent RuCo6Ru6 cuboctahedra, and faces with twelve equivalent CoCo6Ru6 cuboctahedra. All Ru–Ru bond lengths are 2.65 Å. All Ru–Co bond lengths are 2.56 Å. Co is bonded to six equivalent Ru and six equivalent Co atoms to form distorted CoCo6Ru6 cuboctahedra that share corners with eighteen equivalent CoCo6Ru6 cuboctahedra, edges with six equivalent CoCo6Ru6 cuboctahedra, edges with twelve equivalent RuCo6Ru6 cuboctahedra, faces with eight equivalent CoCo6Ru6 cuboctahedra, and faces with twelve equivalent RuCo6Ru6 cuboctahedra. All Co–Co bond lengths are 2.65 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co4Ru by Materials Project

RuCo4 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ru is bonded to six equivalent Ru and six equivalent Co atoms to form RuCo6Ru6 cuboctahedra that share corners with six equivalent RuCo6Ru6 cuboctahedra, corners with six CoCo12 cuboctahedra, edges with six equivalent RuCo6Ru6 cuboctahedra, edges with eighteen CoCo9Ru3 cuboctahedra, faces with six equivalent RuCo6Ru6 cuboctahedra, and faces with twelve equivalent CoCo9Ru3 cuboctahedra. All Ru–Ru bond lengths are 2.57 Å. All Ru–Co bond lengths are 2.61 Å. There are seven inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Ru and nine Co atoms to form CoCo9Ru3 cuboctahedra that share corners with twelve CoCo9Ru3 cuboctahedra, edges with six equivalent RuCo6Ru6 cuboctahedra, edges with eighteen CoCo9Ru3 cuboctahedra, faces with six equivalent RuCo6Ru6 cuboctahedra, and faces with twelve CoCo9Ru3 cuboctahedra. There are three shorter (2.47 Å) and six longer (2.57 Å) Co–Co bond lengths. In the second Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent RuCo6Ru6 cuboctahedra, corners with nine CoCo9Ru3 cuboctahedra, edges with three equivalent RuCo6Ru6 cuboctahedra, edges with twenty-one CoCo9Ru3 cuboctahedra, and faces with eighteen CoCo9Ru3 cuboctahedra. There are three shorter (2.51 Å) and six longer (2.57 Å) Co–Co bond lengths. In the third Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent RuCo6Ru6 cuboctahedra, corners with nine CoCo9Ru3 cuboctahedra, edges with three equivalent RuCo6Ru6 cuboctahedra, edges with twenty-one CoCo9Ru3 cuboctahedra, and faces with eighteen CoCo9Ru3 cuboctahedra. There are three shorter (2.47 Å) and six longer (2.57 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent RuCo6Ru6 cuboctahedra, corners with nine CoCo9Ru3 cuboctahedra, edges with three equivalent RuCo6Ru6 cuboctahedra, edges with twenty-one CoCo9Ru3 cuboctahedra, and faces with eighteen CoCo9Ru3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.47–2.57 Å. In the fifth Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent RuCo6Ru6 cuboctahedra, corners with nine CoCo9Ru3 cuboctahedra, edges with three equivalent RuCo6Ru6 cuboctahedra, edges with twenty-one CoCo9Ru3 cuboctahedra, and faces with eighteen CoCo9Ru3 cuboctahedra. There are three shorter (2.47 Å) and six longer (2.57 Å) Co–Co bond lengths. In the sixth Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent RuCo6Ru6 cuboctahedra, corners with nine CoCo9Ru3 cuboctahedra, edges with three equivalent RuCo6Ru6 cuboctahedra, edges with twenty-one CoCo9Ru3 cuboctahedra, and faces with eighteen CoCo9Ru3 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.47–2.57 Å. In the seventh Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with three equivalent RuCo6Ru6 cuboctahedra, corners with nine CoCo9Ru3 cuboctahedra, edges with three equivalent RuCo6Ru6 cuboctahedra, edges with twenty-one CoCo9Ru3 cuboctahedra, and faces with eighteen CoCo9Ru3 cuboctahedra. There are three shorter (2.47 Å) and six longer (2.57 Å) Co–Co bond lengths.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Co3Ru by Materials Project

Co3Ru is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ru is bonded to twelve Co atoms to form RuCo12 cuboctahedra that share corners with six equivalent RuCo12 cuboctahedra, corners with twelve equivalent CoCo8Ru4 cuboctahedra, edges with eighteen CoCo8Ru4 cuboctahedra, faces with eight equivalent RuCo12 cuboctahedra, and faces with twelve CoCo8Ru4 cuboctahedra. There are six shorter (2.53 Å) and six longer (2.56 Å) Ru–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded to four equivalent Ru and eight Co atoms to form distorted CoCo8Ru4 cuboctahedra that share corners with four equivalent RuCo12 cuboctahedra, corners with fourteen CoCo8Ru4 cuboctahedra, edges with six equivalent RuCo12 cuboctahedra, edges with twelve CoCo8Ru4 cuboctahedra, faces with four equivalent RuCo12 cuboctahedra, and faces with sixteen CoCo8Ru4 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.50–2.60 Å. In the second Co site, Co is bonded to four equivalent Ru and eight equivalent Co atoms to form distorted CoCo8Ru4 cuboctahedra that share corners with four equivalent RuCo12 cuboctahedra, corners with fourteen CoCo8Ru4 cuboctahedra, edges with six equivalent RuCo12 cuboctahedra, edges with twelve equivalent CoCo8Ru4 cuboctahedra, faces with four equivalent RuCo12 cuboctahedra, and faces with sixteen CoCo8Ru4 cuboctahedra.

36 MATERIALS SCIENCE↗