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DOE OSTI · 1718083

Materials Data on HgSO5 by Materials Project

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Abstract

HgSO5 crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two HgSO5 sheets oriented in the (0, 0, 1) direction. Hg is bonded in a distorted linear geometry to four O atoms. There are a spread of Hg–O bond distances ranging from 2.05–2.64 Å. S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.55 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Hg and one S atom. In the third O site, O is bonded in a single-bond geometry to one Hg and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one Hg atom.

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36 MATERIALS SCIENCEcrystal structureHg-O-SHgSO5

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2020-05-03. Materials Data on HgSO5 by Materials Project. https://doi.org/10.17188/1718083

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