Materials Data on HgHOF by Materials Project

Abstract

HgHOF crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Hg2+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of distorted edge and corner-sharing HgO3F3 octahedra. The corner-sharing octahedra tilt angles range from 61–63°. There are two shorter (2.14 Å) and one longer (2.91 Å) Hg–O bond lengths. There are a spread of Hg–F bond distances ranging from 2.55–2.57 Å. H1+ is bonded in a linear geometry to one O2- and one F1- atom. The H–O bond length is 1.03 Å. The H–F bond length is 1.48 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one H1+ atom. F1- is bonded in a distorted single-bond geometry to three equivalent Hg2+ and one H1+ atom.