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DOE OSTI · 1676539

Materials Data on BaO5 by Materials Project

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Abstract

BaO5 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two BaO5 sheets oriented in the (0, 0, 1) direction. Ba is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Ba–O bond distances ranging from 2.67–2.99 Å. There are three inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to three equivalent Ba atoms. In the second O site, O is bonded in a 2-coordinate geometry to one Ba and one O atom. The O–O bond length is 1.29 Å. In the third O site, O is bonded in a distorted T-shaped geometry to two equivalent Ba and one O atom.

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36 MATERIALS SCIENCEBa-OBaO5crystal structure

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2020-04-30. Materials Data on BaO5 by Materials Project. https://doi.org/10.17188/1676539

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