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DOE OSTI · 1204722

Materials Data on BaZn5 by Materials Project

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Abstract

BaZn5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ba is bonded in a 9-coordinate geometry to eleven Zn atoms. There are a spread of Ba–Zn bond distances ranging from 3.43–3.96 Å. There are three inequivalent Zn sites. In the first Zn site, Zn is bonded in a 11-coordinate geometry to four equivalent Ba and seven Zn atoms. There are a spread of Zn–Zn bond distances ranging from 2.60–2.98 Å. In the second Zn site, Zn is bonded in a 12-coordinate geometry to eight Zn atoms. There are two shorter (2.67 Å) and two longer (2.69 Å) Zn–Zn bond lengths. In the third Zn site, Zn is bonded in a 11-coordinate geometry to three equivalent Ba and eight Zn atoms. Both Zn–Zn bond lengths are 2.98 Å.

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36 MATERIALS SCIENCEBa-ZnBaZn5crystal structure

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2020-07-16. Materials Data on BaZn5 by Materials Project. https://doi.org/10.17188/1204722

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