Premium
Ab initio structure determination of [Eu 5 (C 2 H 4 O 2 ) 6 (CH 3 CO 2 ) 3 ] n by X‐ray powder diffraction
Author(s) -
Abdallah Amal,
Ammar Souad,
Ban Voraksmy,
Sibille Romain,
Francois Michel
Publication year - 2018
Publication title -
acta crystallographica section b
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.604
H-Index - 33
ISSN - 2052-5206
DOI - 10.1107/s2052520618012982
Subject(s) - powder diffraction , europium , ethylene glycol , ab initio , crystallography , solvent , diffraction , bar (unit) , carboxylate , materials science , chemistry , organic chemistry , physics , ion , meteorology , optics
The compound [Eu 5 (C 2 H 4 O 2 ) 6 (CH 3 CO 2 ) 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 Å 3 and the highest centred cubic symmetry space group, (No. 230). The porous metal–organic framework structure is similar to those usually observed in zeolites, with pores volumes of 82 Å 3 , which is of potential interest for gas storage.