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DOE OSTI · 1206739

Materials Data on BaCO3 by Materials Project

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Abstract

BaCO3 is Potassium chlorate structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ba2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Ba–O bond distances ranging from 2.70–2.89 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. All C–O bond lengths are 1.30 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ba2+ and one C4+ atom.

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36 MATERIALS SCIENCEBa-C-OBaCO3crystal structure

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2020-07-23. Materials Data on BaCO3 by Materials Project. https://doi.org/10.17188/1206739

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