Ta3W is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to four equivalent Ta(2) and four equivalent W(1) atoms to form a mixture of distorted corner, edge, and face-sharing TaTa4W4 tetrahedra. In the second Ta site, Ta(2) is bonded in a 14-coordinate geometry to eight equivalent Ta(1) and six equivalent W(1) atoms. W(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ta(2) and eight equivalent Ta(1) atoms.
Ta3W is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Ta sites. In the first Ta site, Ta(1) is bonded to four equivalent Ta(2) and four equivalent W(1) atoms to form a mixture of distorted corner, edge, and face-sharing TaTa4W4 tetrahedra. All Ta(1)-Ta(2) bond lengths are 2.83 Å. All Ta(1)-W(1) bond lengths are 2.83 Å. In the second Ta site, Ta(2) is bonded in a 14-coordinate geometry to eight equivalent Ta(1) and six equivalent W(1) atoms. All Ta(2)-W(1) bond lengths are 3.27 Å. W(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ta(2) and eight equivalent Ta(1) atoms.