Materials Data on Pu(SiPt)2 by Materials Project

Abstract

PuPt2Si2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Pu4+ is bonded in a 8-coordinate geometry to eight Pt2- atoms. There are four shorter (3.20 Å) and four longer (3.28 Å) Pu–Pt bond lengths. There are two inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded to four equivalent Pu4+ and four equivalent Si atoms to form a mixture of distorted edge and face-sharing PtPu4Si4 tetrahedra. All Pt–Si bond lengths are 2.49 Å. In the second Pt2- site, Pt2- is bonded in a 5-coordinate geometry to four equivalent Pu4+ and five Si atoms. There are one shorter (2.38 Å) and four longer (2.43 Å) Pt–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 5-coordinate geometry to five Pt2- atoms. In the second Si site, Si is bonded to four equivalent Pt2- atoms to form a mixture of edge and corner-sharing SiPt4 tetrahedra.