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DOE OSTI2020

Materials Data on BaNaSn by Materials Project

NaBaSn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Sn atoms. All Na–Ba bond lengths are 3.33 Å. All Na–Sn bond lengths are 3.33 Å. Ba is bonded in a distorted q6 geometry to four equivalent Na and six equivalent Sn atoms. All Ba–Sn bond lengths are 3.85 Å. Sn is bonded in a 4-coordinate geometry to four equivalent Na and six equivalent Ba atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on BaNa2Sn by Materials Project

Na2BaSn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Na2BaSn ribbons oriented in the (1, 0, 0) direction. Na is bonded in a distorted linear geometry to one Ba and one Sn atom. The Na–Ba bond length is 3.92 Å. The Na–Sn bond length is 2.98 Å. Ba is bonded in a linear geometry to two equivalent Na atoms. Sn is bonded in a linear geometry to two equivalent Na atoms.

36 MATERIALS SCIENCE↗