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DOE OSTI · 1199074

Materials Data on BiCl3 by Materials Project

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Abstract

BiCl3 is Cementite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Bi3+ is bonded to six Cl1- atoms to form a mixture of distorted corner and edge-sharing BiCl6 pentagonal pyramids. There are a spread of Bi–Cl bond distances ranging from 2.49–3.35 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Bi3+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Bi3+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted water-like geometry to two equivalent Bi3+ atoms.

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36 MATERIALS SCIENCEBi-ClBiCl3crystal structure

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2020-07-15. Materials Data on BiCl3 by Materials Project. https://doi.org/10.17188/1199074

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