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DOE OSTI · 1313061

Materials Data on HgSeO3 by Materials Project

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Abstract

HgSeO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Hg2+ is bonded to six O2- atoms to form distorted corner-sharing HgO6 octahedra. The corner-sharing octahedra tilt angles range from 54–78°. There are a spread of Hg–O bond distances ranging from 2.11–2.84 Å. Se4+ is bonded in a trigonal non-coplanar geometry to three O2- atoms. There is one shorter (1.68 Å) and two longer (1.77 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Hg2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Hg2+ and one Se4+ atom.

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36 MATERIALS SCIENCEcrystal structureHg-O-SeHgSeO3

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2020-07-14. Materials Data on HgSeO3 by Materials Project. https://doi.org/10.17188/1313061

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