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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ba2ZnIn by Materials Project

Ba2ZnIn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to four equivalent Zn and four equivalent In atoms. All Ba–Zn bond lengths are 3.64 Å. All Ba–In bond lengths are 3.64 Å. Zn is bonded in a body-centered cubic geometry to eight equivalent Ba atoms. In is bonded in a body-centered cubic geometry to eight equivalent Ba atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba2ZnIn by Materials Project

Ba2ZnIn crystallizes in the orthorhombic Immm space group. The structure is one-dimensional and consists of two Ba2ZnIn ribbons oriented in the (0, 1, 0) direction. Ba is bonded in a linear geometry to one Zn and one In atom. The Ba–Zn bond length is 3.65 Å. The Ba–In bond length is 3.38 Å. Zn is bonded in a linear geometry to two equivalent Ba atoms. In is bonded in a linear geometry to two equivalent Ba atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaZnIn3 by Materials Project

BaZnIn3 crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to four equivalent Zn and twelve In atoms. All Ba–Zn bond lengths are 3.68 Å. There are a spread of Ba–In bond distances ranging from 3.67–3.99 Å. Zn is bonded in a 9-coordinate geometry to four equivalent Ba and five In atoms. There are one shorter (2.71 Å) and four longer (2.88 Å) Zn–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded in a 12-coordinate geometry to four equivalent Ba, two equivalent Zn, and two equivalent In atoms. Both In–In bond lengths are 3.03 Å. In the second In site, In is bonded in a 1-coordinate geometry to four equivalent Ba, one Zn, and four equivalent In atoms.

36 MATERIALS SCIENCE↗