Mg3Hf 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 distorted body-centered cubic geometry to eight equivalent Mg(2) atoms. In the second Mg site, Mg(2) is bonded in a body-centered cubic geometry to four equivalent Mg(1) and four equivalent Hf(1) atoms. Hf(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Mg(2) atoms.
Mg3Hf 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 distorted body-centered cubic geometry to eight equivalent Mg(2) atoms. All Mg(1)-Mg(2) bond lengths are 3.05 Å. In the second Mg site, Mg(2) is bonded in a body-centered cubic geometry to four equivalent Mg(1) and four equivalent Hf(1) atoms. All Mg(2)-Hf(1) bond lengths are 3.05 Å. Hf(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Mg(2) atoms.