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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ScSnAu by Materials Project

ScAuSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sc is bonded to four equivalent Au and six equivalent Sn atoms to form a mixture of distorted face and corner-sharing ScSn6Au4 tetrahedra. All Sc–Au bond lengths are 2.82 Å. All Sc–Sn bond lengths are 3.26 Å. Au is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Sn atoms. All Au–Sn bond lengths are 2.82 Å. Sn is bonded in a 4-coordinate geometry to six equivalent Sc and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScSnAu by Materials Project

ScAuSn crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Sc is bonded in a 3-coordinate geometry to three equivalent Au and six equivalent Sn atoms. All Sc–Au bond lengths are 2.89 Å. There are three shorter (3.13 Å) and three longer (3.28 Å) Sc–Sn bond lengths. Au is bonded in a 7-coordinate geometry to three equivalent Sc and four equivalent Sn atoms. There are three shorter (2.77 Å) and one longer (2.82 Å) Au–Sn bond lengths. Sn is bonded in a 10-coordinate geometry to six equivalent Sc and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScSnAu2 by Materials Project

ScAu2Sn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two ScAu2Sn ribbons oriented in the (1, 0, 0) direction. Sc is bonded in a linear geometry to two equivalent Au atoms. Both Sc–Au bond lengths are 2.57 Å. Au is bonded in a linear geometry to one Sc and one Sn atom. The Au–Sn bond length is 2.70 Å. Sn is bonded in a linear geometry to two equivalent Au atoms.

36 MATERIALS SCIENCE↗