Materials Data on Ti2AlCu by Materials Project

Abstract

Ti2CuAl crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 8-coordinate geometry to four equivalent Ti, six equivalent Cu, and four equivalent Al atoms. All Ti–Ti bond lengths are 2.73 Å. All Ti–Cu bond lengths are 3.15 Å. All Ti–Al bond lengths are 2.73 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti and four equivalent Cu atoms. All Ti–Cu bond lengths are 2.73 Å. Cu is bonded in a distorted body-centered cubic geometry to ten Ti and four equivalent Al atoms. All Cu–Al bond lengths are 2.73 Å. Al is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Cu atoms.