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Dresden 2009 – scientific programme

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MM: Fachverband Metall- und Materialphysik

MM 35: Poster Session II

MM 35.42: Poster

Wednesday, March 25, 2009, 16:30–18:30, P4

Physical significance of the flexibility window in zeolites — •Asel Sartbaeva1 and Stephen Wells21Inorganic Chemistry laboratory, South Parks Road, Oxford OX1 3QR, UK — 2Department of Physics and Center for Scientific Computing, University of Warwick, Coventry CV4 7AL, UK

We have recently noted that aluminosilicate zeolite frameworks, modelled as a periodic system of corner-linked polyhedra, display a range of densities within which the polyhedra can in principle be made geometrically ideal. Outside this range, distortions are inevitable due to either stretching of bonds or collisions between oxygen atoms on adjacent tetrahedra. The densities of high-silica zeolites at room conditions is found to lie at the low-density edge of the window, indicating that zeolites are maximally expanded structures. We present new evidence, from a theoretical/experimental study of zeolites with ANA topology, that the flexibility window is a valuable guide in explaining the structures and structural phase transitions of zeolites.

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