Ab initio structure determination of heavy oxide Sr9Mn5Co2O21 from precession electron diffraction data


K. Boulahya1, M. Parras1, J. M. González-Calbet1, S. Nicolopoulos2,3

1Dpto. Química Inorgánica, Facultad de Químicas, Universidad Complutense, E28040-Madrid, Spain

2Universidad Politecnica de Valencia /ITQ Avda de los Naranjos, Valencia 46071,Spain

3NanoMEGAS, Boulevard Edmond Machtens 79, Brussels B-1080, Belgium

* Corresponding author. E-mail: khalid@quim.ucm.es

Received: 01 November 2006; revised version accepted: 29 May 2007



     Complex perovskite-related structure was solved ab initio from precession electron diffraction intensities. Structure models were firstly derived from HREM images and have been confirmed independently using two and three dimensional sets of precession intensities. The high quality of precession intensity data may be suitable enough to permit resolve unknown heavy oxide structures.


Keywords: ab initio structure determination; One-dimensional oxide; Precession electron diffraction; Electron microscopy.

© 2015