Materials Data on Co3Ni by Materials Project

Abstract

Co3Ni is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Co is bonded to eight equivalent Co and four equivalent Ni atoms to form CoCo8Ni4 cuboctahedra that share corners with four equivalent NiCo12 cuboctahedra, corners with fourteen equivalent CoCo8Ni4 cuboctahedra, edges with six equivalent NiCo12 cuboctahedra, edges with twelve equivalent CoCo8Ni4 cuboctahedra, faces with four equivalent NiCo12 cuboctahedra, and faces with sixteen equivalent CoCo8Ni4 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.47–2.50 Å. There are two shorter (2.48 Å) and two longer (2.49 Å) Co–Ni bond lengths. Ni is bonded to twelve equivalent Co atoms to form NiCo12 cuboctahedra that share corners with six equivalent NiCo12 cuboctahedra, corners with twelve equivalent CoCo8Ni4 cuboctahedra, edges with eighteen equivalent CoCo8Ni4 cuboctahedra, faces with eight equivalent NiCo12 cuboctahedra, and faces with twelve equivalent CoCo8Ni4 cuboctahedra.