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DOE OSTI · 1744901

Materials Data on BaO6 by Materials Project

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Abstract

BaO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ba is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of Ba–O bond distances ranging from 2.71–2.97 Å. There are three inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Ba and one O atom. The O–O bond length is 1.29 Å. In the second O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ba and one O atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent Ba and one O atom. The O–O bond length is 1.35 Å.

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36 MATERIALS SCIENCEBa-OBaO6crystal structure

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2020-06-05. Materials Data on BaO6 by Materials Project. https://doi.org/10.17188/1744901

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