Materials Data on Ti8Cu3Ni by Materials Project
Ti2Ni(Ti2Cu)3 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of three Ti2Cu sheets oriented in the (0, 0, 1) direction and one Ti2Ni sheet oriented in the (0, 0, 1) direction. In each Ti2Cu sheet, there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to four equivalent Cu atoms. All Ti–Cu bond lengths are 2.69 Å. In the second Ti site, Ti is bonded in a 12-coordinate geometry to four equivalent Cu atoms. All Ti–Cu bond lengths are 2.72 Å. Cu is bonded in a distorted body-centered cubic geometry to eight Ti atoms. In the Ti2Ni sheet, Ti is bonded in a 12-coordinate geometry to four equivalent Ni atoms. All Ti–Ni bond lengths are 2.63 Å. Ni is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.