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Materials Data on HgO2 by Materials Project

HgO2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two HgO2 ribbons oriented in the (1, 0, 1) direction. Hg is bonded in a linear geometry to two equivalent O atoms. Both Hg–O bond lengths are 2.12 Å. O is bonded in a distorted water-like geometry to one Hg and one O atom. The O–O bond length is 1.48 Å.

36 MATERIALS SCIENCE↗

Materials Data on HgO2 by Materials Project

HgO2 crystallizes in the orthorhombic Pbca space group. The structure is one-dimensional and consists of four HgO2 ribbons oriented in the (1, 0, 0) direction. Hg is bonded in a linear geometry to two equivalent O atoms. Both Hg–O bond lengths are 2.13 Å. O is bonded in a 2-coordinate geometry to one Hg and one O atom. The O–O bond length is 1.48 Å.

36 MATERIALS SCIENCE↗

Materials Data on HgO2 by Materials Project

HgO2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two HgO2 ribbons oriented in the (1, 0, 1) direction. Hg is bonded in a linear geometry to two equivalent O atoms. Both Hg–O bond lengths are 2.11 Å. O is bonded in a distorted water-like geometry to one Hg and one O atom. The O–O bond length is 1.48 Å.

36 MATERIALS SCIENCE↗

Materials Data on Re2(HgO2)5 by Materials Project

Re2(HgO2)5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Re5+ is bonded in a tetrahedral geometry to four O2- atoms. There is two shorter (1.75 Å) and two longer (1.76 Å) Re–O bond length. There are three inequivalent Hg2+ sites. In the first Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Hg–O bond distances ranging from 2.25–2.84 Å. In the second Hg2+ site, Hg2+ is bonded in a 1-coordinate geometry to one O2- atom. The Hg–O bond length is 2.21 Å. In the third Hg2+ site, Hg2+ is bonded in a 2-coordinate geometry to six O2- atoms. There are a spread of Hg–O bond distances ranging from 2.09–3.01 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Re5+ atom. In the second O2- site, O2- is bonded to four Hg2+ atoms to form a mixture of distorted edge and corner-sharing OHg4 tetrahedra. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Re5+ and two Hg2+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re5+ and one Hg2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Re5+ and one Hg2+ atom.

36 MATERIALS SCIENCE↗

Materials Data on BaAg2(HgO2)2 by Materials Project

BaAg2(HgO2)2 crystallizes in the tetragonal P4/nbm space group. The structure is three-dimensional. Ba2+ is bonded in a distorted body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.92 Å. Ag1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ag–O bond lengths are 2.12 Å. Hg2+ is bonded in a distorted linear geometry to four equivalent O2- atoms. There are two shorter (2.05 Å) and two longer (2.90 Å) Hg–O bond lengths. O2- is bonded in a 2-coordinate geometry to two equivalent Ba2+, one Ag1+, and two equivalent Hg2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on Si(HgO2)2 by Materials Project

Si(HgO2)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Hg2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are a spread of Hg–O bond distances ranging from 2.08–2.82 Å. Si4+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All Si–O bond lengths are 1.66 Å. O2- is bonded in a 2-coordinate geometry to three equivalent Hg2+ and one Si4+ atom.

36 MATERIALS SCIENCE↗

Identification of HgO/x/ species by matrix isolation spectroscopy

The condensation of Hg atoms in an ozone-doped argon matrix gas with irradiation from a medium-pressure mercury arc lamp at 10 K resulted in the formation of several trapped HgO(x) species. Tentative identification of HgO has been made from absorption bands appearing in the visible and IR regions of the spectrum based on (O-16)2 and (O-18)2 isotope studies. The following spectroscopic constants were obtained: nu(00) = 14634 cm, nu(1) = 548 cm, and nu(11) = 676 cm. Some qualitative evidence was obtained for the existence of HgO2.

Butler, R.↗