Ti3In 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 In(1) atoms. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to eight equivalent Ti(1) and six equivalent In(1) atoms. In(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ti(2) and eight equivalent Ti(1) atoms.
Ti3In 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 In(1) atoms. All Ti(1)-Ti(2) bond lengths are 2.88 Å. All Ti(1)-In(1) bond lengths are 2.88 Å. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to eight equivalent Ti(1) and six equivalent In(1) atoms. All Ti(2)-In(1) bond lengths are 3.32 Å. In(1) is bonded in a distorted body-centered cubic geometry to six equivalent Ti(2) and eight equivalent Ti(1) atoms.