Ti3Os 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 Os(1) atoms to form a mixture of distorted corner, face, and edge-sharing TiTi4Os4 tetrahedra. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to eight equivalent Ti(1) and six equivalent Os(1) atoms. Os(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ti(2) and eight equivalent Ti(1) atoms.
Ti3Os 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 Os(1) atoms to form a mixture of distorted corner, face, and edge-sharing TiTi4Os4 tetrahedra. All Ti(1)-Ti(2) bond lengths are 2.74 Å. All Ti(1)-Os(1) bond lengths are 2.74 Å. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to eight equivalent Ti(1) and six equivalent Os(1) atoms. All Ti(2)-Os(1) bond lengths are 3.16 Å. Os(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ti(2) and eight equivalent Ti(1) atoms.