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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZrGaPt by Materials Project

PtGaZr crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Pt and six equivalent Ga atoms. There are a spread of Zr–Pt bond distances ranging from 2.81–2.89 Å. There are a spread of Zr–Ga bond distances ranging from 3.01–3.17 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Ga atoms. All Pt–Ga bond lengths are 2.68 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Ga atoms. All Pt–Ga bond lengths are 2.63 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrGaPt by Materials Project

PtGaZr crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Pt and six equivalent Ga atoms. There are four shorter (2.85 Å) and one longer (2.86 Å) Zr–Pt bond lengths. There are two shorter (3.04 Å) and four longer (3.10 Å) Zr–Ga bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Ga atoms. All Pt–Ga bond lengths are 2.62 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Ga atoms. All Pt–Ga bond lengths are 2.69 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Zr and four Pt atoms.

36 MATERIALS SCIENCE↗