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Accueil du site > Vie du Laboratoire > Archives > Archives 2013 "A la Une" >

21 mai 2013

Precession Electron Diffraction Tomography for Solving Complex Modulated Structures : the Case of Bi5Nb3O15

The crystal structure of the one-dimensional incommensurately modulated phase Bi5Nb3O15 is solved by electron diffraction using a tomography technique combined with precession of the electron beam. The present work shows how electron density map, generated as an output of the charge-flipping structure solution procedure, can be interpreted to obtain a structural model even in such a complex case. The model is further validated by Rietveld refinement against X-ray powder diffraction data. A coherent picture of the true nature of this compound is thus obtained, conciliating experimental observations made by different groups using transmission electron microscopy, X-ray and neutron powder diffraction.

Authors : Philippe Boullay, Lukas Palatinus, and Nicolas Barrier.
Laboratoire CRISMAT, UMR CNRS 6508, ENSICAEN, 6 Bd Maréchal Juin, F-14050 Caen Cedex 4, France
Institute of Physics of the AS CR, v.v.i. Na Slovance 2, 182 21 Prague, Czechia

Inorg. Chem., 2013, 52 (10), pp 6127–6135
DOI : 10.1021/ic400529s