Materials Data on Rb2H2C2O5 by Materials Project

Abstract

Rb2C2H2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Rb1+ is bonded in a 10-coordinate geometry to two equivalent H1+ and eight O2- atoms. There are one shorter (3.09 Å) and one longer (3.18 Å) Rb–H bond lengths. There are a spread of Rb–O bond distances ranging from 2.96–3.22 Å. C3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.27 Å) and one longer (1.28 Å) C–O bond length. H1+ is bonded in a single-bond geometry to two equivalent Rb1+ and 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 distorted single-bond geometry to three equivalent Rb1+ and one C3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to four equivalent Rb1+ and one C3+ atom. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent Rb1+ and two equivalent H1+ atoms.