Ti2NiAl crystallizes in the cubic F-43m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 14-coordinate geometry to four equivalent Ti(2), six equivalent Ni(1), and four equivalent Al(1) atoms. In the second Ti site, Ti(2) is bonded in a 4-coordinate geometry to four equivalent Ti(1) and four equivalent Ni(1) atoms. Ni(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(2), six equivalent Ti(1), and four equivalent Al(1) atoms. Al(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(1) and four equivalent Ni(1) atoms.
Ti2NiAl crystallizes in the cubic F-43m space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 14-coordinate geometry to four equivalent Ti(2), six equivalent Ni(1), and four equivalent Al(1) atoms. All Ti(1)-Ti(2) bond lengths are 2.68 Å. All Ti(1)-Ni(1) bond lengths are 3.09 Å. All Ti(1)-Al(1) bond lengths are 2.68 Å. In the second Ti site, Ti(2) is bonded in a 4-coordinate geometry to four equivalent Ti(1) and four equivalent Ni(1) atoms. All Ti(2)-Ni(1) bond lengths are 2.68 Å. Ni(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(2), six equivalent Ti(1), and four equivalent Al(1) atoms. All Ni(1)-Al(1) bond lengths are 2.68 Å. Al(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(1) and four equivalent Ni(1) atoms.