http://www.cnr.it/ontology/cnr/individuo/prodotto/ID178324
Flexibility window controls pressure-induced phase transition in analcime (Articolo in rivista)
- Type
- Label
- Flexibility window controls pressure-induced phase transition in analcime (Articolo in rivista) (literal)
- Anno
- 2008-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1209/0295-5075/83/26002 (literal)
- Alternative label
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Sartbaeva A.; Gatta G.D.; Wells S.A. (literal)
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- Rivista
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- Inorganic Chemistry Laboratory, University of Oxford - South Parks Road, Oxford OX1 3QR, UK, EU;
Dipartimento Scienze della Terra, Universit`a degli Studi di Milano - Via Botticelli 23, I-20133 Milano, Italy, EU;
Department of Physics and Centre for Scientific Computing, University of Warwick - Gibbet Hill Road,
Coventry CV4 7AL, UK, EU. (literal)
- Titolo
- Flexibility window controls pressure-induced phase transition in analcime (literal)
- Abstract
- Analcime under pressure undergoes a phase transition at 1.0 GPa from a cubic
(Ia¯3d) form to a low-symmetry triclinic (P¯1) form. We use geometric simulation to relate
the pressure behavior of analcime to a recently discovered property of zeolite frameworks, the
\"flexibility window\", defined as the range of densities over which the tetrahedral units in the
framework can in principle be made geometrically ideal. Our results show that the range of
stability of the cubic phase in analcime is defined by the flexibility window of the cubic framework.
Analcime at low density can undergo tetragonal distortion while remaining within the flexibility
window, consistent with experimental reports of non-cubic symmetries. On compression to higher
densities, the capacity for tetragonal distortion is greatly reduced, accounting for the dramatic
reduction in symmetry at the pressure-induced phase transition. (literal)
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