DGK Workgroup Theoretical Methods

10th Workshop on Structural Analysis of Aperiodic Crystals

12th — 15th March 2020 University of Bayreuth, Germany



An overview will be provided of the methods of structural analysis of incommensurately modulated crystals and composite crystals. Lectures will cover the basic principles of the superspace approach. A presentation of recent developments includes special modulation functions. Participants will have the opportunity to practice structural analysis in superspace with the computer programs Superflip and JANA2006 (by V. Petricek, M. Dusek and L. Palatinus, Prague). A step-by-step tutorial will guide you through structure determination, symmetry analysis, structure refinement and t-plots for crystal-chemical analysis of selected examples of modulated structures and composite crystals.

The maximum number of participants is 40.


  • Aperiodic order of matter
  • Superspace theory of modulated crystals
  • Symmetry and superspace groups
  • Diffraction by aperiodic crystals
  • Structure solution and charge flipping
  • Structural analysis and refinement in superspace
  • Crystal chemistry, t-plots and t-movies
  • Superspace approach to high-Z’ molecular crystals
  • Aperiodic magnetic order


A practical course on structural analysis of modulated crystals with JANA2006 and Superflip.


  • V. Petříček, Prague, CzechRepublic
  • M. Dušek, Prague, Czech Republic
  • O. Pérez, Caen, France *
  • S. van Smaalen, Bayreuth, Germany
  • A. Schönleber, Bayreuth, Germany
  • N.N.

* to be confirmed