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DOE OSTI · 1268494

Materials Data on HgH10C3I3N by Materials Project

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Abstract

HgI3C3H7NH3 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four trimethylazanium molecules and two HgI3 ribbons oriented in the (1, 0, 0) direction. In each HgI3 ribbon, Hg2+ is bonded to four I1- atoms to form corner-sharing HgI4 tetrahedra. There are a spread of Hg–I bond distances ranging from 2.77–3.09 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a water-like geometry to two equivalent Hg2+ atoms. In the second I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom. In the third I1- site, I1- is bonded in a single-bond geometry to one Hg2+ atom.

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36 MATERIALS SCIENCEC-H-Hg-I-Ncrystal structureHgH10C3I3N

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2020-04-29. Materials Data on HgH10C3I3N by Materials Project. https://doi.org/10.17188/1268494

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36 MATERIALS SCIENCE↗