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While the first report of molecular crystals that could bend without breaking was well over a decade ago, the development of suitable characterisation tools remains a priority. Due to the broad reaching applications of these materials in advanced technologies, it is important to develop both mechanical and mechanistic understanding. Micro-focused mapping experiments were designed with the intent of bridging the gap between the measurement of mechanical properties and molecular-scale structural understanding. Herein, we describe a methodology for determining the mechanisms of deformation in flexible crystals with atomic precision and provide examples where it has been implemented. Although micro-focused mapping experiments have potential for application in the determination of mechanisms of flexibility, great care must be taken during both experimental design and data analysis.

Graphical abstract: Determining the mechanisms of deformation in flexible crystals using micro-focus X-ray diffraction

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