Materials Data on Ce4Sn25Pt12 by Materials Project

Abstract

Ce4Pt12Sn25 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce is bonded to six equivalent Pt and twelve Sn atoms to form distorted CeSn12Pt6 cuboctahedra that share faces with two equivalent SnSn12 cuboctahedra and faces with six equivalent CeSn12Pt6 cuboctahedra. All Ce–Pt bond lengths are 3.37 Å. There are six shorter (3.47 Å) and six longer (3.80 Å) Ce–Sn bond lengths. Pt is bonded in a 8-coordinate geometry to two equivalent Ce and six Sn atoms. There are a spread of Pt–Sn bond distances ranging from 2.63–2.79 Å. There are three inequivalent Sn sites. In the first Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Ce, three equivalent Pt, and one Sn atom. The Sn–Sn bond length is 3.44 Å. In the second Sn site, Sn is bonded in a 3-coordinate geometry to two equivalent Ce and three equivalent Pt atoms. In the third Sn site, Sn is bonded to twelve equivalent Sn atoms to form SnSn12 cuboctahedra that share faces with eight equivalent CeSn12Pt6 cuboctahedra.