Materials Data on HgWO4 by Materials Project

Abstract

HgWO4 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. W6+ is bonded to six O2- atoms to form a mixture of distorted edge and corner-sharing WO6 pentagonal pyramids. There are a spread of W–O bond distances ranging from 1.81–2.07 Å. Hg2+ is bonded in a 2-coordinate geometry to seven O2- atoms. There are a spread of Hg–O bond distances ranging from 2.19–2.81 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent W6+ and three equivalent Hg2+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to one W6+ and two equivalent Hg2+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent W6+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one W6+ and two equivalent Hg2+ atoms.