6533b85ffe1ef96bd12c1cb6
RESEARCH PRODUCT
Average versus local structure in K2NiF4-type LaSrAlO4: direct experimental evidence of local cationic ordering
Dominique MassiotPiercarlo MustarelliCristina TealdiLorenzo MalavasiAlberto SpinellaClemens RitterChiara FerraraPierre Floriansubject
ChemistryNeutron diffractionCationic polymerizationStructure (category theory)Pair distribution function02 engineering and technologyGeneral Chemistry[CHIM.MATE]Chemical Sciences/Material chemistryType (model theory)010402 general chemistry021001 nanoscience & nanotechnology01 natural sciencesLocal structureSynchrotron0104 chemical scienceslaw.inventionCrystallographylawChemical physicsK2NiF4 neutron diffraction 27Al MAS NMR quadrupolar interaction local structureMaterials ChemistryRange (statistics)Local structure NMR0210 nano-technologyComputingMilieux_MISCELLANEOUSdescription
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
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2012-01-01 |