Average versus local structure in K2NiF4-type LaSrAlO4: direct experimental evidence of local cationic ordering
| Autor: | Dominique Massiot, Piercarlo Mustarelli, Cristina Tealdi, Lorenzo Malavasi, Alberto Spinella, Clemens Ritter, Chiara Ferrara, Pierre Florian |
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| Přispěvatelé: | Conditions Extrêmes et Matériaux : Haute Température et Irradiation (CEMHTI), Centre National de la Recherche Scientifique (CNRS)-Institut de Chimie du CNRS (INC)-Université d'Orléans (UO), Fédération RMN du Solide à Hauts Champs (FRMN-SHC), Université d'Orléans (UO)-Institut de Chimie du CNRS (INC)-Centre National de la Recherche Scientifique (CNRS), Tealdi, C, Ferrara, C, Malavasi, L, Mustarelli, P, Ritter, C, Spinella, A, Massiot, D, Florian, P |
| Jazyk: | angličtina |
| Rok vydání: | 2012 |
| Předmět: |
Chemistry
Neutron diffraction Cationic polymerization Structure (category theory) Pair distribution function 02 engineering and technology General Chemistry [CHIM.MATE]Chemical Sciences/Material chemistry Type (model theory) 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Local structure Synchrotron 0104 chemical sciences law.invention Crystallography law Chemical physics K2NiF4 neutron diffraction 27Al MAS NMR quadrupolar interaction local structure Materials Chemistry Range (statistics) Local structure NMR 0210 nano-technology ComputingMilieux_MISCELLANEOUS |
| Zdroj: | Journal of Materials Chemistry Journal of Materials Chemistry, Royal Society of Chemistry, 2012, 22, pp.10488-10495. ⟨10.1039/c2jm30603d⟩ |
| ISSN: | 0959-9428 1364-5501 |
| Popis: | The long-range ordering of a crystalline material can be accurately determined by analyzing the Bragg intensities and positions. In contrast, direct observation of short-range ordering in crystalline materials, which is increasingly considered of fundamental importance to unravel the structure-property relationships that underpin their technological applications, is a challenging task. In this study we have investigated the structure of LaSrAlO4, a representative example of compounds with the K2NiF4-type structure. By the combined use of synchrotron and neutron diffraction, pair distribution function analysis, Al-27 MQMAS NMR and atomistic simulations we have highlighted differences between the average and local structure of this material, directly determining the existence of at least two distinct Al sites. The results presented in this study confirm that La and Sr are, on average, randomly distributed throughout the structure, but demonstrate that the situation is considerably more complex at the short range |
| Databáze: | OpenAIRE |
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