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DOE OSTI · 1314080

Materials Data on Hg2H6CN3Cl5 by Materials Project

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Abstract

Hg2Cl5CN3H6 crystallizes in the orthorhombic C222_1 space group. The structure is two-dimensional and consists of four guanidinium molecules and two Hg2Cl5 sheets oriented in the (0, 0, 1) direction. In each Hg2Cl5 sheet, Hg2+ is bonded in a 5-coordinate geometry to five Cl1- atoms. There are a spread of Hg–Cl bond distances ranging from 2.35–3.43 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a rectangular see-saw-like geometry to four equivalent Hg2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two equivalent Hg2+ atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Hg2+ atom.

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36 MATERIALS SCIENCEC-Cl-H-Hg-Ncrystal structureHg2H6CN3Cl5

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2020-07-15. Materials Data on Hg2H6CN3Cl5 by Materials Project. https://doi.org/10.17188/1314080

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36 MATERIALS SCIENCE↗