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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TiGaPt by Materials Project

TiPtGa crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to two equivalent Ti, six equivalent Pt, and six equivalent Ga atoms. Both Ti–Ti bond lengths are 2.76 Å. All Ti–Pt bond lengths are 2.90 Å. All Ti–Ga bond lengths are 2.90 Å. Pt is bonded in a 11-coordinate geometry to six equivalent Ti and five equivalent Ga atoms. There are three shorter (2.55 Å) and two longer (2.76 Å) Pt–Ga bond lengths. Ga is bonded in a 5-coordinate geometry to six equivalent Ti and five equivalent Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti6Ga16Pt7 by Materials Project

Ti6Pt7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a distorted square co-planar geometry to four equivalent Ga atoms. All Ti–Ga bond lengths are 2.71 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to eight Ga atoms. There are four shorter (2.54 Å) and four longer (2.70 Å) Pt–Ga bond lengths. In the second Pt site, Pt is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Pt–Ga bond lengths are 2.60 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Ti and three equivalent Pt atoms. In the second Ga site, Ga is bonded to four Pt atoms to form a mixture of distorted edge and corner-sharing GaPt4 tetrahedra.

36 MATERIALS SCIENCE↗