Materials Data on Hg2SeO4 by Materials Project
Hg2SeO4 crystallizes in the monoclinic P2/c space group. The structure is two-dimensional and consists of one Hg2SeO4 sheet oriented in the (1, 0, 0) direction. Hg2+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Hg–O bond distances ranging from 2.22–2.77 Å. Se4+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.66 Å) and two longer (1.72 Å) Se–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Hg2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Hg2+ and one Se4+ atom.
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