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Analysis of Iron Oxides with ESPRIT DynamicS

Iron oxides are important compounds which are widespread in materials science (e.g. steel corrosion) and geology (e.g. ore deposits). The crystal structures of iron oxides show many similarities, which can make them difficult to distinguish reliably, also by EDS. The calculation of pairwise cross-correlation coefficient r between the dynamical simulations and the experimental patterns indicates the correct phase for each of the two experimental patterns. A better fit of rWuestite = 0.62 (rMagnetite = 0.53) was found for the wuestite pattern and vice versa rMagnetite = 0.64 (rWuestite = 0.41) for the magnetite pattern.