Ti3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to four equivalent Ti(2) and four equivalent Sn(1) atoms to form a mixture of distorted corner, edge, and face-sharing TiTi4Sn4 tetrahedra. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to eight equivalent Ti(1) and six equivalent Sn(1) atoms. Sn(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ti(2) and eight equivalent Ti(1) atoms.
Ti3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to four equivalent Ti(2) and four equivalent Sn(1) atoms to form a mixture of distorted corner, edge, and face-sharing TiTi4Sn4 tetrahedra. All Ti(1)-Ti(2) bond lengths are 2.86 Å. All Ti(1)-Sn(1) bond lengths are 2.86 Å. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to eight equivalent Ti(1) and six equivalent Sn(1) atoms. All Ti(2)-Sn(1) bond lengths are 3.31 Å. Sn(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ti(2) and eight equivalent Ti(1) atoms.