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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TiAlPt by Materials Project

PtTiAl crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 6-coordinate geometry to two equivalent Ti, six equivalent Pt, and six equivalent Al atoms. Both Ti–Ti bond lengths are 2.71 Å. All Ti–Pt bond lengths are 2.90 Å. All Ti–Al bond lengths are 2.90 Å. Pt is bonded in a 11-coordinate geometry to six equivalent Ti and five equivalent Al atoms. There are three shorter (2.57 Å) and two longer (2.71 Å) Pt–Al bond lengths. Al is bonded to six equivalent Ti and five equivalent Pt atoms to form a mixture of distorted corner and face-sharing AlTi6Pt5 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

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.

36 MATERIALS SCIENCE↗