Tripling of the unit cell volume of the non-centrosymmetric AlPO4-SOD after dehydration: a structural study of a
Jean-Louis Paillaud1, Claire Marichal, Mélanie Roux
1Laboratoire de Matériaux à Porosité Contrôlée, UMR 7016, ENSCMu, Université de Haute Alsace, 3 rue Alfred Werner, 68093 Mulhouse Cedex, France. Jean-Louis.PAILLAUD@uha.fr
Abstract:
The structure of AlPO4-SOD, a microporous aluminophosphate synthesized in a quasi-nonaqueous system using dimethylformamide as template and solvent, was previously reported. Then, various solid state nuclear magnetic resonance techniques applied on the dehydrated compound at 200 degrees C were performed and suggested a rearrangement of one-third of the template molecules inside the sodalite cages and a tripling of the unit cell parameter c. We present here the structure determined from molecular modeling and Rietveld analysis on synchrotron data of AlPO4-SOD dehydrated under vacuum at 100 degrees C together with some solid state NMR experiments of the rehydrated product.
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