Materials Data on Ti6Al16Pt7 by Materials Project
Ti6Pt7Al16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Pt, and eight Al atoms. All Ti–Ti bond lengths are 2.99 Å. All Ti–Pt bond lengths are 3.20 Å. There are four shorter (2.77 Å) and four longer (3.28 Å) Ti–Al bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to four equivalent Ti and eight Al atoms. There are four shorter (2.50 Å) and four longer (2.69 Å) Pt–Al bond lengths. In the second Pt site, Pt is bonded in a body-centered cubic geometry to eight equivalent Al atoms. All Pt–Al bond lengths are 2.55 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded to three equivalent Ti and four Pt atoms to form a mixture of distorted face, edge, and corner-sharing AlTi3Pt4 tetrahedra. In the second Al site, Al is bonded in a distorted trigonal planar geometry to three equivalent Ti and three equivalent Pt atoms.