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.