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DOE OSTI · 1270334

Materials Data on BaB2F8 by Materials Project

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Abstract

BaB2F8 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ba2+ is bonded in a distorted q6 geometry to ten F1- atoms. There are a spread of Ba–F bond distances ranging from 2.74–2.94 Å. B3+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of B–F bond distances ranging from 1.40–1.44 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Ba2+ and one B3+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one Ba2+ and one B3+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to two equivalent Ba2+ and one B3+ atom.

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36 MATERIALS SCIENCEB-Ba-FBaB2F8crystal structure

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2020-07-15. Materials Data on BaB2F8 by Materials Project. https://doi.org/10.17188/1270334

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36 MATERIALS SCIENCE↗