Materials Data on ReHgO4 by Materials Project
ReHgO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Re6+ is bonded in a tetrahedral geometry to four O2- atoms. There is three shorter (1.75 Å) and one longer (1.78 Å) Re–O bond length. Hg2+ is bonded in a 6-coordinate geometry to one Hg2+ and five O2- atoms. The Hg–Hg bond length is 2.61 Å. There are a spread of Hg–O bond distances ranging from 2.28–3.04 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one Hg2+ atom. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Re6+ and one Hg2+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one Re6+ and two equivalent Hg2+ atoms. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Re6+ and one Hg2+ atom.