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DOE OSTI2020

Materials Data on ScSnPd by Materials Project

ScPdSn crystallizes in the hexagonal P-62c space group. The structure is three-dimensional. Sc is bonded in a 11-coordinate geometry to five Pd and six equivalent Sn atoms. There are a spread of Sc–Pd bond distances ranging from 2.88–3.03 Å. There are a spread of Sc–Sn bond distances ranging from 3.09–3.26 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Sc and six equivalent Sn atoms. All Pd–Sn bond lengths are 2.75 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Sc and three equivalent Sn atoms. All Pd–Sn bond lengths are 2.77 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Sc and four Pd atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ScSnPd2 by Materials Project

ScPd2Sn 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 Pd and six equivalent Sn atoms. All Sc–Pd bond lengths are 2.86 Å. All Sc–Sn bond lengths are 3.30 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Sc and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.86 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Sc and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗