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DOE OSTI · 1739690

Materials Data on Bi2O3 by Materials Project

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Abstract

Bi2O3 crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of three Bi2O3 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to three O2- atoms. There are two shorter (2.14 Å) and one longer (2.16 Å) Bi–O bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to three equivalent O2- atoms. All Bi–O bond lengths are 2.14 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to two 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/10.17188/1739690

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