LiZn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded in a distorted body-centered cubic geometry to six equivalent Zn(2) and eight equivalent Zn(1) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Li(1) and four equivalent Zn(2) atoms to form a mixture of distorted corner, edge, and face-sharing ZnLi4Zn4 tetrahedra. In the second Zn site, Zn(2) is bonded in a 14-coordinate geometry to six equivalent Li(1) and eight equivalent Zn(1) atoms.
LiZn3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded in a distorted body-centered cubic geometry to six equivalent Zn(2) and eight equivalent Zn(1) atoms. All Li(1)-Zn(2) bond lengths are 3.01 Å. All Li(1)-Zn(1) bond lengths are 2.61 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to four equivalent Li(1) and four equivalent Zn(2) atoms to form a mixture of distorted corner, edge, and face-sharing ZnLi4Zn4 tetrahedra. All Zn(1)-Zn(2) bond lengths are 2.61 Å. In the second Zn site, Zn(2) is bonded in a 14-coordinate geometry to six equivalent Li(1) and eight equivalent Zn(1) atoms.