Materials Data on Ce3Sn13Ir4 by Materials Project

Abstract

Ce3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All Ce–Ir bond lengths are 3.47 Å. There are eight shorter (3.44 Å) and four longer (3.45 Å) Ce–Sn bond lengths. Ir is bonded in a 6-coordinate geometry to three equivalent Ce and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Ce, two equivalent Ir, and one Sn atom. The Sn–Sn bond length is 3.37 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.