Analcime under pressure undergoes a phase transition at 1.0GPa 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.
Flexibility window controls pressure-induced phase transition in analcime. / A. Sartbaeva, G.D. Gatta, S.A. Wells. - In: EUROPHYSICS LETTERS. - ISSN 0295-5075. - 83:2(2008 Jul), pp. 26002.26002-1-26002.26002-5.
Flexibility window controls pressure-induced phase transition in analcime.
G.D. GattaSecondo
;
2008
Abstract
Analcime under pressure undergoes a phase transition at 1.0GPa 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.File | Dimensione | Formato | |
---|---|---|---|
doc1.doc
accesso aperto
Tipologia:
Post-print, accepted manuscript ecc. (versione accettata dall'editore)
Dimensione
186.5 kB
Formato
Microsoft Word
|
186.5 kB | Microsoft Word | Visualizza/Apri |
Pubblicazioni consigliate
I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.