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DOE OSTI · 1201905

Materials Data on BiI by Materials Project

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Abstract

BiI crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of eight BiI ribbons oriented in the (0, 1, 0) direction. there are two inequivalent Bi1+ sites. In the first Bi1+ site, Bi1+ is bonded in a rectangular see-saw-like geometry to four I1- atoms. There are two shorter (3.13 Å) and two longer (3.15 Å) Bi–I bond lengths. In the second Bi1+ site, Bi1+ is bonded in a single-bond geometry to one I1- atom. The Bi–I bond length is 3.82 Å. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in an L-shaped geometry to two equivalent Bi1+ atoms. In the second I1- site, I1- is bonded in a distorted L-shaped geometry to three Bi1+ atoms.

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36 MATERIALS SCIENCEBi-IBiIcrystal structure

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2020-07-20. Materials Data on BiI by Materials Project. https://doi.org/10.17188/1201905

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