Materials Data on CrHgO4 by Materials Project

Abstract

CrHgO4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cr6+ is bonded to four O2- atoms to form CrO4 tetrahedra that share corners with six equivalent HgO6 octahedra. The corner-sharing octahedra tilt angles range from 44–53°. There is two shorter (1.64 Å) and two longer (1.71 Å) Cr–O bond length. Hg2+ is bonded to six O2- atoms to form HgO6 octahedra that share corners with six equivalent CrO4 tetrahedra and edges with two equivalent HgO6 octahedra. There are four shorter (2.37 Å) and two longer (2.38 Å) Hg–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cr6+ and two equivalent Hg2+ atoms. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Cr6+ and one Hg2+ atom.