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DOE OSTI · 1752871

Materials Data on HgNCl by Materials Project

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Abstract

HgNCl crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four HgNCl ribbons oriented in the (1, 0, 0) direction. In two of the HgNCl ribbons, Hg2+ is bonded in a linear geometry to two equivalent N1- atoms. Both Hg–N bond lengths are 2.12 Å. N1- is bonded in a trigonal non-coplanar geometry to two equivalent Hg2+ and one Cl1- atom. The N–Cl bond length is 1.78 Å. Cl1- is bonded in a distorted single-bond geometry to one N1- atom. In two of the HgNCl ribbons, Hg2+ is bonded in a linear geometry to two equivalent N1- atoms. Both Hg–N bond lengths are 2.11 Å. N1- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg2+ and one Cl1- atom. The N–Cl bond length is 1.79 Å. Cl1- is bonded in a distorted single-bond geometry to one N1- atom.

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36 MATERIALS SCIENCECl-Hg-Ncrystal structureHgNCl

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2019-09-05. Materials Data on HgNCl by Materials Project. https://doi.org/10.17188/1752871

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36 MATERIALS SCIENCE↗