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DOE OSTI2020

Materials Data on BaNaTl2 by Materials Project

NaBaTl2 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 Tl atoms. All Na–Tl bond lengths are 3.56 Å. Ba is bonded in a body-centered cubic geometry to eight equivalent Tl atoms. All Ba–Tl bond lengths are 3.56 Å. Tl is bonded in a body-centered cubic geometry to four equivalent Na and four equivalent Ba atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on BaNaTl2 by Materials Project

NaBaTl2 crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaBaTl2 ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent Tl atoms. Both Na–Tl bond lengths are 3.07 Å. Ba is bonded in a linear geometry to two equivalent Tl atoms. Both Ba–Tl bond lengths are 3.24 Å. Tl is bonded in a linear geometry to one Na and one Ba atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ba2NaTl by Materials Project

NaBa2Tl crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two NaBa2Tl ribbons oriented in the (1, 0, 0) direction. Na is bonded in a linear geometry to two equivalent Ba atoms. Both Na–Ba bond lengths are 3.87 Å. Ba is bonded in a linear geometry to one Na and one Tl atom. The Ba–Tl bond length is 3.33 Å. Tl is bonded in a linear geometry to two equivalent Ba atoms.

36 MATERIALS SCIENCE↗