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DOE OSTI · 1277673

Materials Data on BiBr3 by Materials Project

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Abstract

BiBr3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one BiBr3 sheet oriented in the (1, 0, 0) direction. Bi3+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of Bi–Br bond distances ranging from 2.73–3.59 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 2-coordinate geometry to three equivalent Bi3+ atoms. In the second Br1- site, Br1- is bonded in an L-shaped geometry to two equivalent Bi3+ atoms. In the third Br1- site, Br1- is bonded in a distorted single-bond geometry to two equivalent Bi3+ atoms.

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36 MATERIALS SCIENCEBi-BrBiBr3crystal structure

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2020-07-15. Materials Data on BiBr3 by Materials Project. https://doi.org/10.17188/1277673

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