Supporting Data for “Revealed Preferential Short-Range Anion Ordering in Disordered RbM2O5F (M = Nb, Ta) Pyrochlore-Type Oxyfluorides”

https://doi.org/10.6084/m9.figshare.28263374

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posted on 2025-03-12, 18:46 authored by Ouail ZakaryOuail Zakary, Monique Body, Vincent Sarou-Kanian, Thibault Charpentier, Christophe Legein

This repository contains datasets from DFT calculations performed to optimize the short-range structures of RbM2O5F (M = Nb, Ta) and to compute their NMR parameters.

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URL - Is continued by The corresponding Github repository
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DOI - Is supplement to Revealed Preferential Short-Range Anion Ordering in Disordered RbM2O5F (M= Nb, Ta) Pyrochlore-Type Oxyfluorides

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Pyrochlores Preferential Anion Ordering Multinuclear High-Field Solid-State NMR Structural Modeling First Principle Calculations

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Supporting Data for “Revealed Preferential Short-Range Anion Ordering in Disordered RbM<sub>2</sub>O<sub>5</sub>F (M = Nb, Ta) Pyrochlore-Type Oxyfluorides”

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