Materials Data on Re3HgO9 by Materials Project

Abstract

Re3HgO9 crystallizes in the hexagonal P6mm space group. The structure is three-dimensional. Re+5.33+ is bonded to six O2- atoms to form corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 0–29°. There are a spread of Re–O bond distances ranging from 1.89–1.92 Å. Hg2+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Hg–O bond lengths are 2.89 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Re+5.33+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Re+5.33+ and one Hg2+ atom.