Ab initio structure determination of [Eu5(C2H4O2)6(CH3CO2)3] n by X-ray powder diffraction

Abstract

The compound [Eu5(C2H4O2)6(CH3CO2)3] n was synthesized by dissolving acetate europium salt in ethylene glycol solvent and heating under reflux for a short time. Its structure was solved ab initio from synchrotron powder diffraction data using optimization methods in direct space. The compound has a very large unit-cell volume of 23679 Å3 and the highest centred cubic symmetry space group, Ia{\bar 3}d (No. 230). The porous metal–organic framework structure is similar to those usually observed in zeolites, with pores volumes of 82 Å3, which is of potential interest for gas storage.