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DOE OSTI2020

Materials Data on CoRh3 by Materials Project

Rh3Co1 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Rh is bonded to eight equivalent Rh and four equivalent Co atoms to form distorted RhCo4Rh8 cuboctahedra that share corners with twelve equivalent RhCo4Rh8 cuboctahedra, edges with eight equivalent CoRh12 cuboctahedra, edges with sixteen equivalent RhCo4Rh8 cuboctahedra, faces with four equivalent CoRh12 cuboctahedra, and faces with fourteen equivalent RhCo4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.66 Å. All Rh–Co bond lengths are 2.66 Å. Co is bonded to twelve equivalent Rh atoms to form CoRh12 cuboctahedra that share corners with twelve equivalent CoRh12 cuboctahedra, edges with twenty-four equivalent RhCo4Rh8 cuboctahedra, faces with six equivalent CoRh12 cuboctahedra, and faces with twelve equivalent RhCo4Rh8 cuboctahedra.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Co3Rh by Materials Project

RhCo3 is beta-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Rh is bonded to six equivalent Rh and six equivalent Co atoms to form RhCo6Rh6 cuboctahedra that share corners with six equivalent RhCo6Rh6 cuboctahedra, corners with twelve equivalent CoCo12 cuboctahedra, edges with six equivalent RhCo6Rh6 cuboctahedra, edges with twelve equivalent CoCo9Rh3 cuboctahedra, faces with six equivalent RhCo6Rh6 cuboctahedra, and faces with fourteen CoCo12 cuboctahedra. All Rh–Rh bond lengths are 2.60 Å. All Rh–Co bond lengths are 2.61 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to twelve Co atoms to form CoCo12 cuboctahedra that share corners with six equivalent CoCo12 cuboctahedra, corners with twelve equivalent RhCo6Rh6 cuboctahedra, edges with eighteen CoCo12 cuboctahedra, faces with two equivalent RhCo6Rh6 cuboctahedra, and faces with eighteen CoCo12 cuboctahedra. There are six shorter (2.47 Å) and six longer (2.60 Å) Co–Co bond lengths. In the second Co site, Co is bonded to three equivalent Rh and nine Co atoms to form distorted CoCo9Rh3 cuboctahedra that share corners with eighteen equivalent CoCo9Rh3 cuboctahedra, edges with six equivalent RhCo6Rh6 cuboctahedra, edges with twelve CoCo12 cuboctahedra, faces with six equivalent RhCo6Rh6 cuboctahedra, and faces with fourteen CoCo12 cuboctahedra. All Co–Co bond lengths are 2.60 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CoRh by Materials Project

CoRh crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Rh sites. In the first Rh site, Rh is bonded to six equivalent Rh and six Co atoms to form distorted RhCo6Rh6 cuboctahedra that share corners with twelve RhCo6Rh6 cuboctahedra, edges with twelve RhCo6Rh6 cuboctahedra, edges with twelve CoCo6Rh6 cuboctahedra, faces with six equivalent RhCo6Rh6 cuboctahedra, and faces with twelve CoCo6Rh6 cuboctahedra. All Rh–Rh bond lengths are 2.66 Å. All Rh–Co bond lengths are 2.62 Å. In the second Rh site, Rh is bonded to ten equivalent Rh and six Co atoms to form distorted RhCo6Rh10 cuboctahedra that share corners with ten CoCo6Rh6 cuboctahedra, corners with twelve RhCo6Rh6 cuboctahedra, edges with eight CoCo6Rh6 cuboctahedra, edges with sixteen RhCo6Rh6 cuboctahedra, faces with sixteen equivalent RhCo6Rh10 cuboctahedra, and faces with eighteen CoCo6Rh6 cuboctahedra. There are a spread of Rh–Rh bond distances ranging from 2.66–5.31 Å. All Rh–Co bond lengths are 2.62 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Rh and six equivalent Co atoms to form distorted CoCo6Rh6 cuboctahedra that share corners with twelve CoCo6Rh6 cuboctahedra, edges with twelve equivalent RhCo6Rh6 cuboctahedra, edges with twelve CoCo6Rh6 cuboctahedra, faces with six equivalent CoCo6Rh6 cuboctahedra, and faces with twelve equivalent RhCo6Rh6 cuboctahedra. All Co–Co bond lengths are 2.66 Å. In the second Co site, Co is bonded to six Rh and six equivalent Co atoms to form distorted CoCo6Rh6 cuboctahedra that share corners with five equivalent RhCo6Rh10 cuboctahedra, corners with twelve CoCo6Rh6 cuboctahedra, edges with ten RhCo6Rh6 cuboctahedra, edges with twelve CoCo6Rh6 cuboctahedra, faces with six equivalent CoCo6Rh6 cuboctahedra, and faces with fifteen RhCo6Rh6 cuboctahedra. All Co–Rh bond lengths are 2.62 Å. All Co–Co bond lengths are 2.66 Å. In the third Co site, Co is bonded to six Rh and six equivalent Co atoms to form distorted CoCo6Rh6 cuboctahedra that share corners with five equivalent RhCo6Rh10 cuboctahedra, corners with twelve CoCo6Rh6 cuboctahedra, edges with ten RhCo6Rh6 cuboctahedra, edges with twelve CoCo6Rh6 cuboctahedra, faces with six equivalent CoCo6Rh6 cuboctahedra, and faces with fifteen RhCo6Rh6 cuboctahedra. All Co–Co bond lengths are 2.66 Å.

36 MATERIALS SCIENCE↗