Materials Data on HgC2O2F3 by Materials Project

Abstract

HgCO2CF3 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of eight fluoroform molecules and one HgCO2 framework. In the HgCO2 framework, Hg1+ is bonded in a 1-coordinate geometry to one Hg1+ and four O2- atoms. The Hg–Hg bond length is 2.59 Å. There are a spread of Hg–O bond distances ranging from 2.23–2.94 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.29 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Hg1+ and one C3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Hg1+ and one C3+ atom.