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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on HfGaPd by Materials Project

HfPdGa crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Hf is bonded in a 11-coordinate geometry to five Pd and six equivalent Ga atoms. There are a spread of Hf–Pd bond distances ranging from 2.78–2.87 Å. There are a spread of Hf–Ga bond distances ranging from 2.97–3.14 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Hf and three equivalent Ga atoms. All Pd–Ga bond lengths are 2.67 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Hf and six equivalent Ga atoms. All Pd–Ga bond lengths are 2.60 Å. Ga is bonded in a 10-coordinate geometry to six equivalent Hf and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfGaPd2 by Materials Project

Pd2HfGa crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Pd2HfGa ribbons oriented in the (1, 0, 0) direction. Hf is bonded in a linear geometry to two equivalent Pd atoms. Both Hf–Pd bond lengths are 2.33 Å. Pd is bonded in a linear geometry to one Hf and one Ga atom. The Pd–Ga bond length is 2.51 Å. Ga is bonded in a linear geometry to two equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf6Ga16Pd7 by Materials Project

Hf6Pd7Ga16 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to four equivalent Pd and four equivalent Ga atoms. All Hf–Pd bond lengths are 3.22 Å. All Hf–Ga bond lengths are 2.83 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded to four equivalent Hf and eight Ga atoms to form a mixture of distorted face and corner-sharing PdHf4Ga8 cuboctahedra. There are four shorter (2.55 Å) and four longer (2.72 Å) Pd–Ga bond lengths. In the second Pd site, Pd is bonded in a body-centered cubic geometry to eight equivalent Ga atoms. All Pd–Ga bond lengths are 2.63 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to three equivalent Hf and three equivalent Pd atoms. In the second Ga site, Ga is bonded in a 4-coordinate geometry to four Pd atoms.

36 MATERIALS SCIENCE↗