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DOE OSTI · 1199547

Materials Data on Ti(Bi3O5)4 by Materials Project

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Abstract

Bi12TiO20 crystallizes in the cubic I23 space group. The structure is three-dimensional. Ti4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Ti–O bond lengths are 1.85 Å. Bi3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Bi–O bond distances ranging from 2.11–2.65 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Bi3+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Ti4+ and three equivalent Bi3+ atoms. In the third O2- site, O2- is bonded in a trigonal planar geometry to three equivalent Bi3+ atoms.

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36 MATERIALS SCIENCEBi-O-Ticrystal structureTi(Bi3O5)4

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2020-07-22. Materials Data on Ti(Bi3O5)4 by Materials Project. https://doi.org/10.17188/1199547

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