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PuIr2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Pu is bonded in a 12-coordinate geometry to twelve equivalent Ir atoms. All Pu–Ir bond lengths are 3.10 Å. Ir is bonded to six equivalent Pu and six equivalent Ir atoms to form a mixture of edge, face, and corner-sharing IrPu6Ir6 cuboctahedra. All Ir–Ir bond lengths are 2.64 Å.
Pu5Ir3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Pu sites. In the first Pu site, Pu is bonded in a 4-coordinate geometry to four equivalent Ir atoms. All Pu–Ir bond lengths are 2.94 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 2.89–3.20 Å. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 10-coordinate geometry to eight equivalent Pu and two equivalent Ir atoms. Both Ir–Ir bond lengths are 2.79 Å. In the second Ir site, Ir is bonded in a 10-coordinate geometry to ten Pu atoms.