Materials Data on CeYCo17 by Materials Project
CeYCo17 crystallizes in the trigonal R3m space group. The structure is three-dimensional. Ce is bonded in a 3-coordinate geometry to nineteen Co atoms. There are a spread of Ce–Co bond distances ranging from 2.94–3.28 Å. Y is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Y–Co bond distances ranging from 2.98–3.19 Å. There are six inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to one Ce, one Y, and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.36–2.67 Å. In the second Co site, Co is bonded to one Ce, two equivalent Y, and nine Co atoms to form CoCeY2Co9 cuboctahedra that share corners with fifteen CoCeY2Co9 cuboctahedra, edges with eight CoCeYCo10 cuboctahedra, and faces with ten CoCeY2Co9 cuboctahedra. There are a spread of Co–Co bond distances ranging from 2.39–2.60 Å. In the third Co site, Co is bonded to two equivalent Ce, one Y, and nine Co atoms to form CoCe2YCo9 cuboctahedra that share corners with fifteen CoCeY2Co9 cuboctahedra, edges with eight CoCeYCo10 cuboctahedra, and faces with ten CoCeY2Co9 cuboctahedra. There are two shorter (2.40 Å) and one longer (2.57 Å) Co–Co bond lengths. In the fourth Co site, Co is bonded to one Ce, one Y, and ten Co atoms to form distorted CoCeYCo10 cuboctahedra that share corners with fourteen CoCeYCo10 cuboctahedra, edges with six CoCeY2Co9 cuboctahedra, and faces with ten CoCeY2Co9 cuboctahedra. There are one shorter (2.53 Å) and one longer (2.55 Å) Co–Co bond lengths. In the fifth Co site, Co is bonded in a 2-coordinate geometry to one Ce and thirteen Co atoms. The Co–Co bond length is 2.37 Å. In the sixth Co site, Co is bonded in a 2-coordinate geometry to one Y and thirteen Co atoms.