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DOE OSTI · 1651877

Materials Data on Bi2O3 by Materials Project

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Abstract

Bi2O3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 56°. All Bi–O bond lengths are 2.43 Å. In the second Bi3+ site, Bi3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing BiO6 octahedra. The corner-sharing octahedra tilt angles range from 54–56°. There are a spread of Bi–O bond distances ranging from 2.31–2.56 Å. O2- is bonded to four Bi3+ atoms to form a mixture of distorted edge and corner-sharing OBi4 trigonal pyramids.

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36 MATERIALS SCIENCEBi-OBi2O3crystal structure

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2020-04-29. Materials Data on Bi2O3 by Materials Project. https://doi.org/10.17188/1651877

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