Structure determination of Ba5AlF13 by coupling electron, synchrotron and neutron powder diffraction, solid-state NMR and ab initio calculations-Reference-Cited by-同舟云学术

Structure determination of Ba5AlF13 by coupling electron, synchrotron and neutron powder diffraction, solid-state NMR and ab initio calculations

Published:2016 Issue:39 Volume:45 Page:15565-15574
ISSN:1477-9226
Container-title:Dalton Transactions
language:en
Short-container-title:Dalton Trans.

Author:

Martineau Charlotte¹²³⁴⁵,Allix Mathieu⁶⁷⁸⁹¹⁰,Suchomel Matthew R.¹¹¹²¹³¹⁴,Porcher Florence¹⁵¹⁶¹⁷¹⁰,Vivet François⁶⁷⁸⁹¹⁰,Legein Christophe¹⁸¹⁹²⁰²¹²²^ORCID,Body Monique¹⁸¹⁹²⁰²¹²²,Massiot Dominique⁶⁷⁸⁹¹⁰,Taulelle Francis¹²³⁴⁵,Fayon Franck⁶⁷⁸⁹¹⁰

Affiliation:

1. Tectospin

2. Institut Lavoisier de Versailles

3. CNRS UMR 8180

4. Université de Versailles Saint-Quentin en Yvelines

5. 78035 Versailles Cedex

6. CNRS

7. CEMHTI UPR3079

8. Université d'Orléans

9. F-45071 Orléans

10. France

11. Argonne National Laboratory

12. Advanced Photon Source

13. Argonne

14. USA

15. CEA Saclay

16. Laboratoire Léon Brillouin

17. 91191 Gif sur Yvette

18. Université Bretagne Loire

19. Université du Maine

20. CNRS UMR 6283

21. Institut des Molécules et des Matériaux du Mans

22. 72085 Le Mans Cedex 9

Abstract

The structure and dynamics of Ba₅AlF₁₃ are resolved by combining complementary information from powder diffraction, ²⁷Al and ¹⁹F ultra-fast MAS NMR and DFT calculations.

Publisher

Royal Society of Chemistry (RSC)

Subject

Inorganic Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2016/DT/C6DT02454H

Reference61 articles.

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3. 27Al NMR experiments and quadrupolar parameter ab initio calculations: Crystallographic structure refinement of β-Ba3AlF9

4. Multinuclear High-Resolution NMR Study of Compounds from the Ternary System NaF−CaF2−AlF3: from Determination to Modeling of NMR Parameters

5. Structure determination of β-Pb2ZnF6 by coupling multinuclear solid state NMR, powder XRD and ab initio calculations

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