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Scientists Unveil Hidden Chemical Structure Within Disordered Compound

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Researchers at Tokyo Institute of Technology have made significant advancements in material analysis by combining resonant X-ray diffraction and solid-state nuclear magnetic resonance to uncover the chemical order of molybdenum (Mo) and niobium (Nb) in the compound Ba7Nb4MoO20. This work reveals how hidden chemical structures influence material properties, particularly ionic conduction. Traditional methods like X-ray and neutron diffraction often struggle to distinguish between similar atomic species, necessitating this innovative approach.

Professor Masatomo Yashima led the team in demonstrating that Mo atoms occupy specific crystallographic sites, significantly impacting the material’s ionic conductivity. By using solid-state NMR, they confirmed that Mo is confined to the M2 site, while resonant X-ray diffraction quantified their occupancy. The findings suggest that the arrangement of Mo plays a crucial role in enhancing ionic conductivity, especially in oxygen-deficient environments.

Overall, this study not only enhances understanding of Ba7Nb4MoO20 but also presents a powerful methodology applicable to other materials, paving the way for future exploration of chemical order and its effects on materials science, chemistry, and physics. This breakthrough highlights the intricate relationship between crystal structure and material properties, opening new avenues for research and development.

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