Li3Mg is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2) and four equivalent Mg(1) atoms. In the second Li site, Li(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Li(1) atoms. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Li(1) atoms.
Li3Mg is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted body-centered cubic geometry to four equivalent Li(2) and four equivalent Mg(1) atoms. All Li(1)-Li(2) bond lengths are 2.97 Å. All Li(1)-Mg(1) bond lengths are 2.97 Å. In the second Li site, Li(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Li(1) atoms. Mg(1) is bonded in a body-centered cubic geometry to eight equivalent Li(1) atoms.