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DOE OSTI · 1290939

Materials Data on Bi12AsO20 by Materials Project

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Abstract

Bi12AsO20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Bi+2.92+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.15–2.79 Å. As5+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All As–O bond lengths are 1.74 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi+2.92+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi+2.92+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Bi+2.92+ and one As5+ atom.

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36 MATERIALS SCIENCEAs-Bi-OBi12AsO20crystal structure

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2020-04-30. Materials Data on Bi12AsO20 by Materials Project. https://doi.org/10.17188/1290939

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DOE OSTI2026

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