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DOE OSTI · 1288706

Materials Data on BiBr3 by Materials Project

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Abstract

BiBr3 is Chromium trichloride-like structured and crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one BiBr3 sheet oriented in the (0, 0, 1) direction. Bi3+ is bonded to six Br1- atoms to form edge-sharing BiBr6 octahedra. There are four shorter (2.90 Å) and two longer (2.91 Å) Bi–Br bond lengths. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in an L-shaped geometry to two 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 an L-shaped geometry to two equivalent Bi3+ atoms.

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36 MATERIALS SCIENCEBi-BrBiBr3crystal structure

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2020-05-02. Materials Data on BiBr3 by Materials Project. https://doi.org/10.17188/1288706

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