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MgPu2 is Fluorite structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent Pu atoms. All Mg–Pu bond lengths are 3.16 Å. Pu is bonded to four equivalent Mg atoms to form a mixture of distorted edge and corner-sharing PuMg4 tetrahedra.
Mg3Pu is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a body-centered cubic geometry to four equivalent Mg and four equivalent Pu atoms. All Mg–Mg bond lengths are 3.12 Å. All Mg–Pu bond lengths are 3.12 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to eight equivalent Mg and six equivalent Pu atoms. All Mg–Pu bond lengths are 3.60 Å. Pu is bonded in a distorted body-centered cubic geometry to fourteen Mg atoms.