Ti3Al 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 in a distorted body-centered cubic geometry to four equivalent Ti(2) and four equivalent Al(1) atoms. In the second Ti site, Ti(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Ti(1) and six equivalent Al(1) atoms. Al(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ti(2) and eight equivalent Ti(1) atoms.
Ti3Al 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 in a distorted body-centered cubic geometry to four equivalent Ti(2) and four equivalent Al(1) atoms. All Ti(1)-Ti(2) bond lengths are 2.80 Å. All Ti(1)-Al(1) bond lengths are 2.80 Å. In the second Ti site, Ti(2) is bonded in a distorted body-centered cubic geometry to eight equivalent Ti(1) and six equivalent Al(1) atoms. All Ti(2)-Al(1) bond lengths are 3.23 Å. Al(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ti(2) and eight equivalent Ti(1) atoms.