Ti2CrAl is Tungsten-derived structured and 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 Cr(1), and four equivalent Al(1) atoms. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to four equivalent Ti(1), four equivalent Cr(1), and six equivalent Al(1) atoms. Cr(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), six equivalent Ti(2), and four equivalent Cr(1) atoms.
Ti2CrAl is Tungsten-derived structured and 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 Cr(1), and four equivalent Al(1) atoms. All Ti(1)-Ti(2) bond lengths are 2.73 Å. All Ti(1)-Cr(1) bond lengths are 3.15 Å. All Ti(1)-Al(1) bond lengths are 2.73 Å. In the second Ti site, Ti(2) is bonded in a 14-coordinate geometry to four equivalent Ti(1), four equivalent Cr(1), and six equivalent Al(1) atoms. All Ti(2)-Cr(1) bond lengths are 2.73 Å. All Ti(2)-Al(1) bond lengths are 3.15 Å. Cr(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 Cr(1)-Al(1) bond lengths are 2.73 Å. Al(1) is bonded in a distorted body-centered cubic geometry to four equivalent Ti(1), six equivalent Ti(2), and four equivalent Cr(1) atoms.