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DOE OSTI · 1272976

Materials Data on HgH8C2Br3N by Materials Project

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Abstract

HgBr3CH3CH3NH2 crystallizes in the monoclinic P2_1/m space group. The structure is one-dimensional and consists of two methane molecules; two methylammonium molecules; and one HgBr3 ribbon oriented in the (0, 1, 0) direction. In the HgBr3 ribbon, Hg2+ is bonded to five Br1- atoms to form a mixture of distorted edge and corner-sharing HgBr5 trigonal bipyramids. There are a spread of Hg–Br bond distances ranging from 2.54–3.28 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom. In the second Br1- site, Br1- is bonded in a distorted T-shaped geometry to three equivalent Hg2+ atoms. In the third Br1- site, Br1- is bonded in a single-bond geometry to one Hg2+ atom.

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36 MATERIALS SCIENCEBr-C-H-Hg-Ncrystal structureHgH8C2Br3N

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2020-07-23. Materials Data on HgH8C2Br3N by Materials Project. https://doi.org/10.17188/1272976

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