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DOE OSTI · 1202131

Materials Data on HgBrO3 by Materials Project

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Abstract

HgO3Br crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight HgO3Br clusters. Hg1+ is bonded in a 1-coordinate geometry to one O2- atom. The Hg–O bond length is 2.21 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Br5+ atom. The O–Br bond length is 1.68 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Br5+ atom. The O–Br bond length is 1.67 Å. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Hg1+ and one Br5+ atom. The O–Br bond length is 1.75 Å. Br5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms.

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36 MATERIALS SCIENCEBr-Hg-Ocrystal structureHgBrO3

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2020-07-18. Materials Data on HgBrO3 by Materials Project. https://doi.org/10.17188/1202131

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