Materials Data on Co3Rh by Materials Project

Abstract

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.