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

Graphical Abstract

Author: Ouail Zakary
ORCID: 0000-0002-7793-3306
E-mail: [email protected]
Website: Ouail Zakary - webpage

This is the Supporting Dataset for the manuscript “Revealed Preferential Anion Ordering in Chemically Disordered RbM₂O₅F (M = Nb, Ta) Pyrochlore-Type Oxyfluorides”.

The dataset comprises the following sections:

1. Powder X-ray diffraction data. (directory)
2. High-field solid-state nuclear magnetic resonance spectroscopy data. (directory)
3. Steps for building and generating structural configurations from the unit cell of RbNb₂O₅F. (directory)
4. First principle calculations data. (directory)
5. Python scripts and raw numerical data for all figures included in the main manuscript and the Supporting Information. (directory)

Citations

If you use this data, please cite the following:

Preprint(!!!NOT PEER REVIEWED YET!!!): Zakary, O.; Body, M.; Sarou-Kanian, V.; Charpentier, T.; Legein, C. Revealed Preferential Anion Ordering in Chemically Disordered RbM₂O₅F (M = Nb, Ta) Pyrochlore-Type Oxyfluorides. 2025.

Dataset(!!!NOT PEER REVIEWED YET!!!): Zakary, O.; Body, M.; Sarou-Kanian, V.; Charpentier, T.; Legein, C. (2025). Supporting Data for “Revealed Preferential Anion Ordering in Chemically Disordered RbM₂O₅F (M = Nb, Ta) Pyrochlore-Type Oxyfluorides”. figshare. Dataset.

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For further details, please refer to the respective folders or contact the author via the provided email.