Materials Data on Pu5Ir4 by Materials Project

Abstract

Pu5Ir4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Pu sites. In the first Pu site, Pu is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Pu–Ir bond distances ranging from 2.63–3.20 Å. In the second Pu site, Pu is bonded in a 6-coordinate geometry to six Ir atoms. There are a spread of Pu–Ir bond distances ranging from 2.67–2.91 Å. In the third Pu site, Pu is bonded in a 7-coordinate geometry to seven Ir atoms. There are a spread of Pu–Ir bond distances ranging from 2.77–3.23 Å. There are three inequivalent Ir sites. In the first Ir site, Ir is bonded in a 5-coordinate geometry to eight Pu and one Ir atom. The Ir–Ir bond length is 2.78 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to eight Pu and one Ir atom. In the third Ir site, Ir is bonded in a 5-coordinate geometry to eight Pu and one Ir atom. The Ir–Ir bond length is 2.91 Å.