Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb2ZnCl4

Liang Li, Alexander Wölfel, Andreas Schönleber, Swastik Mondal, Antoine M. M. Schreurs, Loes M. J. Kroon-Batenburg, Sander van Smaalen
  • Acta Crystallographica Section B Structural Science, May 2011, International Union of Crystallography
  • DOI: 10.1107/s0108768111013814

Incommensurate Rb2ZnCl4 with modulated anharmonic ADPs

What is it about?

The modulation of the crystal structure strongly affects the position of the atoms as well as the atomic displacement parameters (ADPs) and the third-order anharmonic ADPs.

Why is it important?

Modulations of the ADPs and anharmonic ADPs are visible in the MEM density and form a dependent set in the refinement. It is suggested that modulated harmonic ADPs and modulated third-order anharmonic ADPs form an intrinsic part, however small, of incommensurately modulated structures in general.

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http://dx.doi.org/10.1107/s0108768111013814

The following have contributed to this page: Priv.-Doz. Dr. Andreas Schönleber