Electron Crystallography

Sven Hovmöller and Xiaodong Zou

Electron crystallography opens up new possibilities for crystal structure determination besides the traditional techniques of X-ray and neutron diffraction. Electron diffraction gives similar kind of data as X-ray and neutron diffraction, but from crystals millions of times smaller. A unique advantage of using electrons is that they (in contrast to neutrons and X-rays) can be focused to an image in the electron microscope. In high resolution electron microscopes (HREM) it is possible to see structures down to the level of single atoms. The crystallographic structure phases which are lost in X-ray diffraction (the phase problem) can be determined experimentally from the Fourier transform of HREM images.
    We are developing methods and theory for electron crystallography. Electron microscopy images are often distorted so that an immediate interpretation in terms of atomic structure is not possible. These distortions are caused by for example crystal misalignment, wrong focus and astigmatism. We have developed image processing methods for estimating and correcting for all these distortions.
    In collaboration with the Russian programmers Maxim Larine and Slava Klimkovitch, we have developed the computer program systems CRISP for crystallographic image processing, ELD for quantitative analysis of electron diffraction patterns.

References (many of these papers can be downloaded from http://www.mmk.su.se/~svenh/index.html:


135. Hovmöller,S. and Zou,X.D. Introduction to electron crystallography . Crystal Research and Technology. 46 (2011) 535–541. Click here for PDF.

136. Zou,X.D., Hovmöller,S. and Oleynikov,P Electron Crystallography - Electron Microscopy and Electron Diffraction. IUCr Texts on Crystallography - 16. International Union of Crystallography, Oxford University Press (2011) . http://www.mmk.su.se/electron-crystallography

137. Hovmöller,S., Zou,X.D., Hovmöller Zou,L. and Grushko,B. Structures of pseudo decagonal (PD) approximants in Al-Co-Ni. Phil. Trans. Roy. Soc. A (2011) in press.


129. Li,M.R., Sun,J.L., Hovmöller,S., Zou,X.D., Oleynikov, P. and Grushko,B. A complicated quasicrystal approximant epsilon16 solved by the strong reflections approach. Acta Cryst. B66 (2010) 17-26. Click here for PDF.

130. Sun,J.L., He,Z.B., Hovmöller,S., Zou,X.D., Gramm,F., Baerlocher,C. and McCusker, L.B. Structure determination of zeolite IM-5 by electron crystallography. Z. Kristallogr. 225 (2010) 77–85.Click here for PDF.

131. Zhang,D.L., Hovmöller,S., Oleynikov,P. and Zou,X.D. Collecting 3D electron diffraction data by the rotation method. Z. Kristallogr. 225 (2010) 94–102. Click here for PDF.

133. Zou,X.D., Wan,W. and Hovmöller,S. Quantitative 3D electron microscopy and 3D electron diffraction, J. Chinese Electron Microscopy Association, invited paper in Chinese (2010) in press.

134. Zhang,D.L., Grüner,D., Oleynikov,P., Wan, W., Hovmöller,S. and Zou,X.D. Precession electron diffraction using a digital sampling method . Ultramicroscopy. 111 (2010) 47–55. Click here for PDF.


127. Zou,X.D., Oleynikov,P., Grüner,D., Zhang,D.L., Sun,J.L. and Hovmöller,S. “Quantitative Electron Diffraction for Crystal Structure Determination”, in Electron Crystallography for Materials Research and Quantitative Characterization of Nanostructured Materials, edited by P. Moeck, S. Hovmöller, S. Nicolopoulos, S. Rouvimov, V. Petkov, M. Gateshki,P. and Fraundorf , Mater. Res. Soc. Symp. Proc. 1184 (2009), GG01-04. Warrendale, PA, USA.

128. Moeck,P., Hovmöller,S., Nicolopoulos,S., Rouvimov,S., Petkov,V., Gateshki,M. and Fraundorf,P. Electron Crystallography for Materials Research and Quantitative Characterization of Nanostructured Materials, Materials Research Society Symposium Proceedings 1184 (2009). Warrendale, PA, USA.


119. Li,M.R., Hovmöller,S., Sun,J.L. and Kuo,K.H. Crystal structure of the 2/1 cubic approximant Ag42In42Yb16. Journal of Alloys and Compounds 465 (2008) 132-138. Click here for PDF.

121. Zou, X.D. and Hovmöller, S. Electron crystallography: Imaging and Single Crystal Diffraction from Powders. 60th Anniversary Special Issue of Acta Crystallographica. Acta Cryst A 64 (2008) 149-160. Click here for PDF.

124. Avelino Corma, Manuel Moliner, Ángel Cantín, María J. Díaz-Cabañas, José L. Jordá, Daliang Zhang, Junliang Sun, Kjell Jansson, Sven Hovmöller, and Xiaodong Zou. Synthesis and Structure of Polymorph B of Zeolite Beta. Chem. Mater. 20 (2008) 3218–3223. Click here for PDF. 125. Sun,J.L. Zhang,D.L., He,Z.B., Hovmöller,S., Zou,X.D., Gramm,F., Baerlocher,C., McCusker,L.B., Corma,A., Moliner,M. and J. Díaz-Cabañas,M.J. “Zeolite structure determination using electron crystallography”, in: Zeolites and Related Materials: Trends, Targets and Challenges, Studies in Surface Science and Catalysis 174, Eds. A. Gedeon, P. Massiani and F. Babonneau, Elsevier BV (2008).

126. Zhang,H., Wang,S.J., Wang,S.C., Li,Z.C., Hovmöller,S. and Zou,X.D. “A Structure Model for tau2-Al13Co4 deduced by the strong reflections approach” J. Computational and Theoretical Nanoscience, 5 (2008) 1735-1737.


114. He,Z.B. Zou,X.D. Hovmöller,S. Oleynikov,P. and Kuo,K.H. Structure determination of the hexagonal quasicrystal approximant my'-(Al,Si)4Cr by the strong reflections approach. Ultramicroscopy 107 (2007),495-500.Click here for PDF.

115. Oleynikov,P. Hovmöller,S. and Zou,X.D. Precession electron diffraction: observed and calculated intensities. Ultramicroscopy 107 (2007), 523-533. Click here for PDF.

117. Baerlocher,C., Gramm,F., Massüger,L., McCusker,L.B., He, Z.B., Hovmöller,S. and Zou,X.D. Structure of the Polycrystalline Zeolite Catalyst IM-5 Solved by Enhanced Charge Flipping. Science 315 (2007), 1113-1116. Click here for PDF.

118. Zhang,H., Yu,T., Oleynikov,P., Zhao,D.Y., Hovmöller,S. and Zou,X.D. “CRISP and eMap: software for determining 3D pore structures of ordered mesoporous materials by electron crystallography”, in: Recent Progress in Mesostructured Materials, Studies in Surface Science and Catalysis 165, Eds. D.Y. Zhao, S.L. Qiu, Y. Tang, C.Z. Yu, Elsevier BV (2007) 109-112.


111. Capitani,GC, Oleynikov,P., Hovmöller,S., Mellini, M. A practical method to detect and correct for lens distortion in the TEM. Ultramicroscopy 106 (2006) 66-74 Click here to download a reprint of the paper in PDF format.

112. Oleynikov,P., Demchenko,L., Christensen,J.,Hovmöller,S., Yokosawa,T., Döblinger,M., Gruschko,B. and Zou,X.D., Structures of the pseudodecagonal Al-Co-Ni approximant PD4. Philosophical Magazine 86 (2006) 457-462. Click here for PDF.

113. Zhang,H., He,Z.B.,Oleynikov,P., Zou,X.D.,Hovmöller,S. and Kuo,K.H. Structure model for the tau(mu) phase in Al-Cr-Si alloys deduced from the lambda phase by the strong-reflections approach. Acta Cryst. B62 (2006) 16-25. Click here for PDF.


107. Oleynikov,P.,Hovmöller,S. and Zou,X.D. Quantification of texture patterns. In Electron Crystallography. Novel Approaches for structure determination of nanosized materials. NATO Science Series II,Springer, Dordrecht. Editors: Weirich, Lábár and Zou. Vol 211(2005) 121-142.

108. Zhang,H., Zou,X.D., Oleynikov,P. and Hovmöller,S. Structures relations in real and reciprocal space of hexagonal phases related to i-ZnMgRE quasicrystals. Philosophical Magazine 86 (2005) 543-548. Click here to download a reprint of the paper in PDF format.

109. Zou,X.D. and Hovmöller,S. Structure determination from HREM by crystallographic image processing. In Electron Crystallography. Novel Approaches for structure determination of nanosized materials. NATO Science Series II, Springer, Dordrecht. Editors: Weirich, Lábár and Zou. Vol 211(2005) 275-300. Click here for PDF.

110. Zou,X.D. and Hovmöller,S. 3D Reconstruction of inorganic crystals: Theory and application. In Electron Crystallography. Novel Approaches for structure determination of nanosized materials. NATO Science Series II, Springer, Dordrecht. Editors: Weirich, Lábár and Zou. Vol 211(2005) 301-320.


100. Zou,X.D., Hovmöller,A. and Hovmöller,S. Trice - a program for reconstructing 3D reciprocal space and determining unit cell parameters, Ultramicroscopy 98 (2004) 187-193. Click here for paper in PDF format.

101. Oleynikov,P., Hovmöller,S., Zou,X.D., Zhuklistov,A.P. and Zvyagin,B. TexPat – A program for quantitative analysis of texture patterns. Zeitschrift für Kristallographie 219 (2004)12-19. Click forpaper in PDF format.

105. Christensen,J., Oleynikov,P., Hovmöller,S. and Zou,X.D. Solving Approximant Structures Using a "Strong Reflection" Approach. Ferroelectrics 305 (2004) 273-277. Click for paper in PDF format.

Before 2000

Zou,X.D., Ferrow,E.A. and Hovmöller,S. Correcting for Crystal Tilt in HRTEM Images of Minerals: The Case of Orthopyroxene. Physics and Chemistry of Minerals 22 (1995) 89-92.

Zou,X.D., Sundberg,M., Larine,M. and Hovmöller,S. Structure Projection Retrieval by Image Processing of HRTEM Images Taken under Non-optimal Defocus Conditions. Ultramicroscopy 62 (1996) 103-121.