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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ScAlAu2 by Materials Project

ScAu2Al is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sc is bonded in a body-centered cubic geometry to eight equivalent Au atoms. All Sc–Au bond lengths are 2.86 Å. Au is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Al atoms. All Au–Al bond lengths are 2.86 Å. Al is bonded in a body-centered cubic geometry to eight equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2AlAu by Materials Project

Sc2AuAl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Sc2AuAl ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to one Au and one Al atom. The Sc–Au bond length is 2.63 Å. The Sc–Al bond length is 2.79 Å. Au is bonded in a linear geometry to two equivalent Sc atoms. Al is bonded in a linear geometry to two equivalent Sc atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScAlAu by Materials Project

ScAuAl crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Sc is bonded in a 5-coordinate geometry to five Au atoms. There are a spread of Sc–Au bond distances ranging from 2.87–2.93 Å. There are two inequivalent Au sites. In the first Au site, Au is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Al atoms. All Au–Al bond lengths are 2.65 Å. In the second Au site, Au is bonded in a 9-coordinate geometry to six equivalent Sc and three equivalent Al atoms. All Au–Al bond lengths are 2.72 Å. Al is bonded in a 4-coordinate geometry to four Au atoms.

36 MATERIALS SCIENCE↗