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DOE OSTI · 1270113

Materials Data on BiO2 by Materials Project

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Abstract

BiO2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Bi sites. In the first Bi site, Bi is bonded in a 4-coordinate geometry to four equivalent O atoms. There are two shorter (2.21 Å) and two longer (2.33 Å) Bi–O bond lengths. In the second Bi site, Bi is bonded to six O atoms to form corner-sharing BiO6 octahedra. The corner-sharing octahedral tilt angles are 54°. There are a spread of Bi–O bond distances ranging from 2.12–2.19 Å. There are two inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Bi atoms. In the second O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent Bi atoms.

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36 MATERIALS SCIENCEBi-OBiO2crystal structure

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2020-05-03. Materials Data on BiO2 by Materials Project. https://doi.org/10.17188/1270113

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