Materials Data on Ce2Ga2Fe15 by Materials Project

Abstract

Ce2Fe15Ga2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Ce is bonded in a 10-coordinate geometry to eighteen Fe and one Ga atom. There are a spread of Ce–Fe bond distances ranging from 2.99–3.35 Å. The Ce–Ga bond length is 3.11 Å. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to two equivalent Ce, eight Fe, and two equivalent Ga atoms to form distorted FeCe2Ga2Fe8 cuboctahedra that share corners with fourteen FeCe2Ga2Fe8 cuboctahedra, edges with six equivalent FeCe3GaFe8 cuboctahedra, and faces with ten FeCe2Ga2Fe8 cuboctahedra. There are four shorter (2.45 Å) and four longer (2.48 Å) Fe–Fe bond lengths. Both Fe–Ga bond lengths are 2.57 Å. In the second Fe site, Fe is bonded in a 12-coordinate geometry to two equivalent Ce, eight Fe, and two equivalent Ga atoms. There are a spread of Fe–Fe bond distances ranging from 2.53–2.63 Å. Both Fe–Ga bond lengths are 2.84 Å. In the third Fe site, Fe is bonded to three equivalent Ce, eight Fe, and one Ga atom to form a mixture of corner, edge, and face-sharing FeCe3GaFe8 cuboctahedra. Both Fe–Fe bond lengths are 2.45 Å. The Fe–Ga bond length is 2.61 Å. Ga is bonded in a 8-coordinate geometry to one Ce, twelve Fe, and one Ga atom. The Ga–Ga bond length is 2.61 Å.