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DOE OSTI · 1718112

Materials Data on Bi2O3 by Materials Project

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Abstract

Bi2O3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Bi–O bond distances ranging from 2.22–2.85 Å. In the second Bi3+ site, Bi3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.18 Å) and three longer (2.85 Å) Bi–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to five Bi3+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four Bi3+ atoms.

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36 MATERIALS SCIENCEBi-OBi2O3crystal structure

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2020-05-03. Materials Data on Bi2O3 by Materials Project. https://doi.org/10.17188/1718112

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