The use of Monte Carlo methods to determine the distribution of Al and Si cations in framework aluminosilicates from 29Si MAS NMR data

American Mineralogist

Volumn 81, Issue 1-2, 1996, Pages 39-44

  Dove, Martin T ^a   Heine, Volker ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINOSILICATES; ALUMINUM; ALUMINUM COMPOUNDS; CALORIMETRY; POSITIVE IONS; SILICATE MINERALS; ZEOLITES;

HIGH-TEMPERATURE CUBIC PHASE; MAS NMR;

MONTE CARLO METHODS;

ALUMINIUM; CATION DISTRIBUTION; CORDIERITE; MAS; MONTE CARLO METHOD; NMR; SILICON;

EID: 0029751069     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am-1996-1-205     Document Type: Article

References (22)

1. Bertram, U.C., Heine, V., Leslie, M., and Price, G.D. (1990) Computer modelling of Al/Si ordering in sillimanite. Physics and Chemistry of Minerals, 17, 326-333.
2. Brown, I.W.M., Cardile, C.M., MacKenzie, K.J.D., Ryan, M.J., and Meinhold, R.H. (1987) Natural and synthetic leucites studied by solid state 29-Si and 27-Al NMR and 57-Fe Mossbauer spectroscopy. Physics and Chemistry of Minerals, 15, 78-83.
3. Carpenter, M.A., Putnis, A., Navrotsky, A., and McConnell, J.D.C. (1983) Enthalpy effects associated with Al,Si ordering in anhydrous Mg-cordierite. Geochimica et Cosmochimica Acta, 47, 899-906.
4. Dove, M.T., Cool, T., Palmer, D.C., Putnis, A., Salje, E.K.H., and Winkler, B. (1993) On the role of Al-Si ordering in the cubic-tetragonal phase transition in leucite. American Mineralogist, 78, 486-492.
5. Dove, M.T., Heine, V., and Hammonds, K.D. (1995) Rigid unit modes in framework silicates. Mineralogical Magazine, 59, 629-639.
6. Dove, M.T., Thayaparam, S., Heine, V., and Hammonds, K.D. (1996) The phenomenon of low Al-Si ordering temperatures in aluminosilicate framework structures. American Mineralogist, 81, in press.
7. 29Si magic angle spinning NMR spectroscopy. Journal of the American Chemical Society, 108, 3218-3223.
8. 6: I. Symmetry analysis with order parameter treatment and the resulting microscopic distortions. Physics and Chemistry of Minerals, 17, 220-227.
9. Meagher, E.P., and Gibbs, G.V. (1977) The polymorphism of cordierite II: The crystal structure of indialite. Canadian Mineralogist, 15, 43-49.
10. Murdoch, J.B., Stebbins, J.F., Carmichael, I.S.E., and Pines, A. (1988) A silicon-29 nuclear magnetic resonance study of silicon-aluminium ordering in leucite and analcite. Physics and Chemistry of Minerals, 15, 370-382.
11. Palmer, D.C., Salje, E.K.H., and Schmahl, W.W. (1989) Phase-transitions in leucite: X-ray diffraction studies. Physics and Chemistry of Minerals, 16, 714-719.
12. Palmer, D.C., Bismayer, U., and Salje, E.K.H. (1990) Phase-transitions in leucite: Order parameter behavior and the Landau potential deduced from Raman-spectroscopy and birefringence studies. Physics and Chemistry of Minerals, 17, 259-265.
13. Palmer, D.C., and Salje, E.K.H. (1990) Phase-transitions in leucite: Dielectric properties and transition mechanism. Physics and Chemistry of Minerals, 17, 444-452.
14. 27Al MAS NMR spectroscopy. Physics and Chemistry of Minerals, 16, 591-598.
15. 29Si NMR spectroscopy of leucite, its Cs- and Rb-exchanged derivatives, and analcime. American Mineralogist, 79, 1025-1031.
16. Putnis, A. (1992) Introduction to mineral sciences, 457 p. Cambridge University Press, Cambridge.
17. Putnis, A., and Angel, R.A. (1985) Al,Si ordering in cordierite using "magic angle spinning" NMR: II. Models of Al,Si order from NMR data. Physics and Chemistry of Minerals, 12, 217-222.
18. 29 spectra of synthetic cordierites. Physics and Chemistry of Minerals, 12, 211-216.
19. Putnis, A., Salje, E., Redfern, S., Fyfe, C.A., and Strobl, H. (1987) Structural states of Mg-cordierite: I. Order parameters from synchrotron X-ray and NMR data. Physics and Chemistry of Minerals, 14, 446-454.
20. Thayaparam, S., Dove, M.T., and Heine, V. (1994) A computer simulation study of Al/Si ordering in gehlenite and the paradox of low transition temperature. Physics and Chemistry of Minerals, 21, 110-116.
21. Thayaparam, S., Heine, V., Dove, M.T., and Hammonds, K.D. (1996) A computational study of Al/Si ordering in cordierite. Physics and Chemistry of Minerals, in press.
22. Vega, A.J. (1983) A statistical approach to the interpretation of silicon-29 NMR of zeolites. In G.D. Stucky and F.G. Dwyer, Eds., Intrazeolite chemistry, p. 217-230. American Chemical Society, Washington, DC.