The analcime-like feldspathoids are a group of microporous minerals with the ANA framework topology. Analcime proper has predominantly Na as its channel cation content, while leucite contains predominantly K, pollucite contains Cs and wairakite contains Ca. Under compression, all these minerals display structural displacive phase transitions to low-symmetry forms at relatively low pressures (0.5-3.2 GPa). We show, using geometric simulation, that these phase transitions are controlled by the "flexibility window" of the ANA framework, defined as the range of framework densities over which the tetrahedral units of the framework can in principle be made geometrically ideal. We discuss experimental compression data for these minerals and its relationship to the theoretical flexibility of the ANA framework, the influence of cation content, and framework ordering.

Flexibility windows and phase transitions of ordered and disordered ANA framework zeolites / S.A. Wells, A. Sartbaeva, G.D. Gatta. - In: EUROPHYSICS LETTERS. - ISSN 0295-5075. - 94:5(2011 Jun), pp. 56001.1-56001.5. [10.1209/0295-5075/94/56001]

Flexibility windows and phase transitions of ordered and disordered ANA framework zeolites

G.D. Gatta
Ultimo
2011

Abstract

The analcime-like feldspathoids are a group of microporous minerals with the ANA framework topology. Analcime proper has predominantly Na as its channel cation content, while leucite contains predominantly K, pollucite contains Cs and wairakite contains Ca. Under compression, all these minerals display structural displacive phase transitions to low-symmetry forms at relatively low pressures (0.5-3.2 GPa). We show, using geometric simulation, that these phase transitions are controlled by the "flexibility window" of the ANA framework, defined as the range of framework densities over which the tetrahedral units of the framework can in principle be made geometrically ideal. We discuss experimental compression data for these minerals and its relationship to the theoretical flexibility of the ANA framework, the influence of cation content, and framework ordering.
elastic behavior; structural evolution; atomistic simulations; high-pressure; analcime; wairakite; pollucite; stability; leucite; quartz
Settore GEO/09 - Georisorse Miner.Appl.Mineral.-Petrogr.per l'amb.e i Beni Cul
giu-2011
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/2434/164041
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