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DOE OSTI · 1662739

Materials Data on BiI3 by Materials Project

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Abstract

BiI3 is Chromium trichloride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one BiI3 sheet oriented in the (0, 0, 1) direction. Bi3+ is bonded to six I1- atoms to form edge-sharing BiI6 octahedra. There are a spread of Bi–I bond distances ranging from 3.08–3.16 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Bi3+ atoms. In the second I1- site, I1- is bonded in an L-shaped geometry to two equivalent Bi3+ atoms. In the third I1- site, I1- is bonded in an L-shaped geometry to two equivalent Bi3+ atoms.

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36 MATERIALS SCIENCEBi-IBiI3crystal structure

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2020-04-29. Materials Data on BiI3 by Materials Project. https://doi.org/10.17188/1662739

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