Materials Data on Ce5Sn3Au by Materials Project

Ce5AuSn3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ce sites. In the first Ce site, Ce is bonded in a 7-coordinate geometry to two equivalent Au and five equivalent Sn atoms. Both Ce–Au bond lengths are 3.10 Å. There are a spread of Ce–Sn bond distances ranging from 3.24–3.46 Å. In the second Ce site, Ce is bonded in a 6-coordinate geometry to six equivalent Sn atoms. All Ce–Sn bond lengths are 3.41 Å. Au is bonded to six equivalent Ce atoms to form face-sharing AuCe6 octahedra. Sn is bonded in a 9-coordinate geometry to nine Ce atoms.