Materials Data on La3Sn13Ir4 by Materials Project

Abstract

La3Ir4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. La is bonded in a 12-coordinate geometry to four equivalent Ir and twelve equivalent Sn atoms. All La–Ir bond lengths are 3.49 Å. All La–Sn bond lengths are 3.48 Å. Ir is bonded in a 6-coordinate geometry to three equivalent La and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.71 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent La, 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.