Materials Data on PuGa4 by Materials Project

Abstract

PuGa4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Pu is bonded in a 11-coordinate geometry to thirteen Ga atoms. There are a spread of Pu–Ga bond distances ranging from 2.97–3.13 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to three equivalent Pu and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.58–2.91 Å. In the second Ga site, Ga is bonded to four equivalent Pu and eight Ga atoms to form a mixture of distorted edge, face, and corner-sharing GaPu4Ga8 cuboctahedra. There are four shorter (3.02 Å) and two longer (3.06 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 3-coordinate geometry to three equivalent Pu and eight Ga atoms.