Examples of Complex Structural Modelling of Crystallographically Challenged Materials

Orateur : Maria DIAZ-LOPEZ (Diamond/ISIS, UK)

For a long time, the field of structural analysis has been partitioned into crystalline and amorphous materials, whose structures are well described by crystallography and local probes, respectively. However, new materials are being increasingly discovered that lie between these two extremes. This is the case of highly defective materials where the local structure does not follow the periodicity of the lattice, and nanostructured materials where the atomic ordering is only limited to a few nanometres. Traditional crystallography fails to describe these types of materials and, due to the complexity of these materials, there are no generic analytical methods for their structural characterisation. Instead, we have to design a structural solution strategy in a case by case basis. During this presentation, I will introduce a comprehensive structural solution strategy of novel nanostructured and highly disordered Li-rich disordered rock-salts developed by the group of Valerie Pralong at CRISMAT. The full description of structure and charge evolution of these compounds was elucidated by Neutron and X-ray total scattering and advanced spectroscopic methods. New software and in-situ characterization set-ups that were especially develop to help with the structural solution will be introduced.

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