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DOE OSTI · 1206735

Materials Data on Ca(BO2)2 by Materials Project

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Abstract

CaB2O4 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Ca2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Ca–O bond distances ranging from 2.37–2.80 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.33–1.41 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Ca2+ and one B3+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Ca2+ and two equivalent B3+ atoms.

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36 MATERIALS SCIENCEB-Ca-OCa(BO2)2crystal structure

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2020-07-15. Materials Data on Ca(BO2)2 by Materials Project. https://doi.org/10.17188/1206735

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