Ta3Os 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 Os(1) atoms to form a mixture of distorted corner, edge, and face-sharing TaTa4Os4 tetrahedra. In the second Ta site, Ta(2) is bonded in a 14-coordinate geometry to eight equivalent Ta(1) and six equivalent Os(1) atoms. Os(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ta(2) and eight equivalent Ta(1) atoms.
Ta3Os 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 Os(1) atoms to form a mixture of distorted corner, edge, and face-sharing TaTa4Os4 tetrahedra. All Ta(1)-Ta(2) bond lengths are 2.79 Å. All Ta(1)-Os(1) bond lengths are 2.79 Å. In the second Ta site, Ta(2) is bonded in a 14-coordinate geometry to eight equivalent Ta(1) and six equivalent Os(1) atoms. All Ta(2)-Os(1) bond lengths are 3.22 Å. Os(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ta(2) and eight equivalent Ta(1) atoms.