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DOE OSTI2020

Materials Data on NaSnPd2 by Materials Project

NaPd2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent Pd and six equivalent Sn atoms. All Na–Pd bond lengths are 2.85 Å. All Na–Sn bond lengths are 3.29 Å. Pd is bonded in a distorted body-centered cubic geometry to four equivalent Na and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.85 Å. Sn is bonded in a 8-coordinate geometry to six equivalent Na and eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NaSn2Pd3 by Materials Project

NaPd3Sn2 crystallizes in the orthorhombic Cmm2 space group. The structure is three-dimensional. Na is bonded in a distorted hexagonal planar geometry to six Pd atoms. All Na–Pd bond lengths are 3.00 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Na and four equivalent Sn atoms. There are two shorter (2.74 Å) and two longer (2.75 Å) Pd–Sn bond lengths. In the second Pd site, Pd is bonded in a 6-coordinate geometry to two equivalent Na and four equivalent Sn atoms. All Pd–Sn bond lengths are 2.74 Å. Sn is bonded in a 6-coordinate geometry to six Pd atoms.

36 MATERIALS SCIENCE↗