Mg3Pu is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a body-centered cubic geometry to four equivalent Mg(2) and four equivalent Pu(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Mg(1) and six equivalent Pu(1) atoms. Pu(1) is bonded in a distorted body-centered cubic geometry to six equivalent Mg(2) and eight equivalent Mg(1) atoms.
Mg3Pu is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a body-centered cubic geometry to four equivalent Mg(2) and four equivalent Pu(1) atoms. All Mg(1)-Mg(2) bond lengths are 3.12 Å. All Mg(1)-Pu(1) bond lengths are 3.12 Å. In the second Mg site, Mg(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Mg(1) and six equivalent Pu(1) atoms. All Mg(2)-Pu(1) bond lengths are 3.60 Å. Pu(1) is bonded in a distorted body-centered cubic geometry to six equivalent Mg(2) and eight equivalent Mg(1) atoms.