Materials Data on Ce2Al2Co15 by Materials Project

Abstract

Ce2Al2Co15 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 3-coordinate geometry to fifteen Co and one Al atom. There are a spread of Ce–Co bond distances ranging from 2.88–3.17 Å. The Ce–Al bond length is 3.06 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded to two equivalent Ce, eight Co, and two equivalent Al atoms to form a mixture of distorted corner, edge, and face-sharing CoCe2Al2Co8 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.59 Å. Both Co–Al bond lengths are 2.72 Å. In the second Co site, Co is bonded to three equivalent Ce, eight Co, and one Al atom to form a mixture of distorted corner, edge, and face-sharing CoCe3AlCo8 cuboctahedra. There are two shorter (2.41 Å) and two longer (2.46 Å) Co–Co bond lengths. The Co–Al bond length is 2.59 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to eight Co and two equivalent Al atoms. Both Co–Al bond lengths are 2.52 Å. Al is bonded in a 6-coordinate geometry to one Ce, twelve Co, and one Al atom. The Al–Al bond length is 2.60 Å.