Y3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 14-coordinate geometry to eight equivalent Y(2) and six equivalent Sn(1) atoms. In the second Y site, Y(2) is bonded to four equivalent Y(1) and four equivalent Sn(1) atoms to form a mixture of distorted face, corner, and edge-sharing YY4Sn4 tetrahedra. Sn(1) is bonded in a distorted body-centered cubic geometry to six equivalent Y(1) and eight equivalent Y(2) atoms.
Y3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded in a 14-coordinate geometry to eight equivalent Y(2) and six equivalent Sn(1) atoms. All Y(1)-Y(2) bond lengths are 3.33 Å. All Y(1)-Sn(1) bond lengths are 3.85 Å. In the second Y site, Y(2) is bonded to four equivalent Y(1) and four equivalent Sn(1) atoms to form a mixture of distorted face, corner, and edge-sharing YY4Sn4 tetrahedra. All Y(2)-Sn(1) bond lengths are 3.33 Å. Sn(1) is bonded in a distorted body-centered cubic geometry to six equivalent Y(1) and eight equivalent Y(2) atoms.