Materials Data on PuRe2 by Materials Project

Abstract

PuRe2 is Hexagonal Laves structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Pu is bonded in a 10-coordinate geometry to one Pu and twelve Re atoms. The Pu–Pu bond length is 2.33 Å. There are a spread of Pu–Re bond distances ranging from 3.02–3.35 Å. There are three inequivalent Re sites. In the first Re site, Re is bonded to six equivalent Pu and six Re atoms to form a mixture of face, edge, and corner-sharing RePu6Re6 cuboctahedra. All Re–Re bond lengths are 2.60 Å. In the second Re site, Re is bonded to six equivalent Pu and six Re atoms to form a mixture of distorted face, edge, and corner-sharing RePu6Re6 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.67–2.91 Å. In the third Re site, Re is bonded to six equivalent Pu and six Re atoms to form a mixture of distorted face, edge, and corner-sharing RePu6Re6 cuboctahedra.