Li3Zn 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 to four equivalent Li(2) and four equivalent Zn(1) atoms to form a mixture of distorted corner, face, and edge-sharing LiLi4Zn4 tetrahedra. In the second Li site, Li(2) is bonded in a 14-coordinate geometry to eight equivalent Li(1) and six equivalent Zn(1) atoms. Zn(1) is bonded in a body-centered cubic geometry to six equivalent Li(2) and eight equivalent Li(1) atoms.
Li3Zn 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 to four equivalent Li(2) and four equivalent Zn(1) atoms to form a mixture of distorted corner, face, and edge-sharing LiLi4Zn4 tetrahedra. All Li(1)-Li(2) bond lengths are 2.75 Å. All Li(1)-Zn(1) bond lengths are 2.75 Å. In the second Li site, Li(2) is bonded in a 14-coordinate geometry to eight equivalent Li(1) and six equivalent Zn(1) atoms. All Li(2)-Zn(1) bond lengths are 3.17 Å. Zn(1) is bonded in a body-centered cubic geometry to six equivalent Li(2) and eight equivalent Li(1) atoms.