Materials Data on Cs2H2C2O5 by Materials Project

Abstract

Cs2C2H2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cs–O bond distances ranging from 3.12–3.29 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both C–O bond lengths are 1.27 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Cs1+ and two equivalent H1+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to two equivalent Cs1+ and one C3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to four equivalent Cs1+ and one C3+ atom.