Materials Data on CeAlCo4 by Materials Project
CeCo4Al crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ce is bonded in a 6-coordinate geometry to fifteen Co and three equivalent Al atoms. There are three shorter (2.94 Å) and twelve longer (3.20 Å) Ce–Co bond lengths. All Ce–Al bond lengths are 2.94 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent Ce, six equivalent Co, and three equivalent Al atoms to form CoCe3Al3Co6 cuboctahedra that share corners with nine equivalent AlCe3Co9 cuboctahedra, corners with twelve equivalent CoCe4Al2Co6 cuboctahedra, edges with six equivalent CoCe3Al3Co6 cuboctahedra, faces with three equivalent AlCe3Co9 cuboctahedra, and faces with twenty CoCe3Al3Co6 cuboctahedra. All Co–Co bond lengths are 2.41 Å. All Co–Al bond lengths are 2.94 Å. In the second Co site, Co is bonded to four equivalent Ce, six Co, and two equivalent Al atoms to form distorted CoCe4Al2Co6 cuboctahedra that share corners with four equivalent AlCe3Co9 cuboctahedra, corners with twenty CoCe3Al3Co6 cuboctahedra, edges with ten equivalent CoCe4Al2Co6 cuboctahedra, faces with six equivalent AlCe3Co9 cuboctahedra, and faces with sixteen CoCe3Al3Co6 cuboctahedra. There are two shorter (2.50 Å) and two longer (2.60 Å) Co–Co bond lengths. Both Co–Al bond lengths are 2.44 Å. Al is bonded to three equivalent Ce and nine Co atoms to form distorted AlCe3Co9 cuboctahedra that share corners with twenty-one CoCe3Al3Co6 cuboctahedra, edges with six equivalent AlCe3Co9 cuboctahedra, faces with two equivalent AlCe3Co9 cuboctahedra, and faces with twenty-one CoCe3Al3Co6 cuboctahedra.