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.