Materials Data on Ce2Co17 by Materials Project

Abstract

Ce2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Ce–Co bond distances ranging from 2.88–3.14 Å. In the second Ce site, Ce is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Ce–Co bond distances ranging from 2.95–3.27 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded to three Ce and nine Co atoms to form distorted CoCe3Co9 cuboctahedra that share corners with twenty-three CoCe2Co10 cuboctahedra, edges with ten CoCe2Co10 cuboctahedra, and faces with twenty CoCe3Co9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.41–2.61 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one Ce and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.34–2.67 Å. In the third Co site, Co is bonded to two equivalent Ce and ten Co atoms to form CoCe2Co10 cuboctahedra that share corners with twenty-two CoCe2Co10 cuboctahedra, edges with ten CoCe2Co10 cuboctahedra, and faces with eighteen CoCe3Co9 cuboctahedra. All Co–Co bond lengths are 2.39 Å. In the fourth Co site, Co is bonded to two Ce and ten Co atoms to form distorted CoCe2Co10 cuboctahedra that share corners with twenty-four CoCe3Co9 cuboctahedra, edges with five CoCe2Co10 cuboctahedra, and faces with twenty-one CoCe3Co9 cuboctahedra. There are one shorter (2.33 Å) and one longer (2.46 Å) Co–Co bond lengths.