Materials Data on Ce3Sn3Ge2 by Materials Project

Abstract

Ce3Sn3Ge2 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 9-coordinate geometry to six Sn and three equivalent Ge atoms. There are three shorter (3.20 Å) and three longer (3.32 Å) Ce–Sn bond lengths. All Ce–Ge bond lengths are 3.46 Å. In the second Ce site, Ce is bonded to six equivalent Sn and six equivalent Ge atoms to form face-sharing CeSn6Ge6 cuboctahedra. All Ce–Sn bond lengths are 3.43 Å. All Ce–Ge bond lengths are 3.30 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 9-coordinate geometry to six Ce and three equivalent Ge atoms. All Sn–Ge bond lengths are 2.69 Å. In the second Sn site, Sn is bonded to six equivalent Ce atoms to form edge-sharing SnCe6 octahedra. Ge is bonded in a 9-coordinate geometry to six Ce and three equivalent Sn atoms.