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.

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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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This page is a summary of: Modulated anharmonic ADPs are intrinsic to aperiodic crystals: a case study on incommensurate Rb2ZnCl4, Acta Crystallographica Section B Structural Science, May 2011, International Union of Crystallography, DOI: 10.1107/s0108768111013814.
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