Mg3Ti is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 14-coordinate geometry to eight equivalent Mg(2) and six equivalent Ti(1) atoms. In the second Mg site, Mg(2) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent Ti(1) atoms. Ti(1) is bonded in a distorted body-centered cubic geometry to six equivalent Mg(1) and eight equivalent Mg(2) atoms.
Mg3Ti is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 14-coordinate geometry to eight equivalent Mg(2) and six equivalent Ti(1) atoms. All Mg(1)-Mg(2) bond lengths are 2.99 Å. All Mg(1)-Ti(1) bond lengths are 3.45 Å. In the second Mg site, Mg(2) is bonded in a distorted body-centered cubic geometry to four equivalent Mg(1) and four equivalent Ti(1) atoms. All Mg(2)-Ti(1) bond lengths are 2.99 Å. Ti(1) is bonded in a distorted body-centered cubic geometry to six equivalent Mg(1) and eight equivalent Mg(2) atoms.