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Hidden chemical order in disordered Ba7Nb4MoO20 revealed by resonant X-ray diffraction and solid-state NMR

MDR Open Deposited

Herein, we quantitatively determined the Mo/Nb order in the high ion conductor Ba7Nb4MoO20 by a novel technique combining of resonant X-ray diffraction, solid-state nuclear magnetic resonance (NMR) and first-principle calculations. NMR provided direct evidence that Nb and Mo atoms occupy three and only M2 sites, respectively, where the M2 site is located near the intrinsically oxygen-deficient ion-conducting layer.

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  • 24/04/2023
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