A computational study of Al/Si ordering in cordierite

Physics and Chemistry of Minerals

Volumn 23, Issue 2, 1996, Pages 127-139

  Thayaparam, S ^a   Heine, V ^a   Dove, M T ^b   Hammonds, K D ^b  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINIUM; COMPUTER MODELLING; CORDIERITE; ENTHALPY; MONTE CARLO SIMULATION; ORDERING; SILICON;

EID: 0029754644     PISSN: 03421791     EISSN: None     Source Type: Journal    
DOI: 10.1007/BF00202308     Document Type: Article

References (24)

1. Ashcroft NW, Mermin ND (1976) Solid state physics. Holt Rinehart and Winston, New York
2. Bertram UC, Heine V, Jones IL, Price GD (1990) Computer modelling of Al/Si ordering in sillimanite. Phys Chem Minerals 17: 326-333
3. Carpenter MA, Putnis A, Navrotsky A, McConnell JDC (1983) Enthalpy effects associated with Al, Si ordering in anhydrous Mg cordierite. Geochim Cosmochim Acta 47: 899-906
4. Catlow CRA (1988) Computer modelling of silicates. In: Salje EKH, Ed., Physical properties and thermodynamic behaviour of minerals. NATO ASI Series C, Vol. 225: 619-638. Retdel, Boston
5. Daniels P, Gies H (1992) NMR-Spectroscopy of synthetic potassium-bearing cordierites. Phys Chem Minerals 18: 383-388
6. De Vita A, Heine V, McConnell JDC (1994) A first-principles investigation of Al/Si ordering. In: Putnis A, Ed., Proceedings of a workshop on Kinetics of Cation ordering (Kinetic Processes in Minerals and Ceramics) p. 29, European Science Foundation, Strasbourg, France
7. De Vita A, Heine V, McConnell JDC (in preparation) The origin of Al/Si ordering enthalpy in tetrahedral framework structures from first principles calculations
8. 29Si MAS-NMR data. Am Mineral 81: 39-44
9. Dove MT, Cool T, Palmer DC, Putnis A, Salje EKH, Winkler B (1993) On the role of Al-Si ordering in the cubic-tetragonal phase transition of leucite. Am Mineral 78: 486-492
10. Dove MT, Thayaparam S, Heine V, Hammonds KD (1996) The phenomenon of low Al/Si ordering temperature in aluminosilicate framework structures. (in press) Am Mineral
11. Gibbs GV (1966) The polymorphism of cordierite I: The crystal structure of low cordierite. Am Mineral 51: 1068-1087
12. Heermann DW (1986) Computer simulation method in theoretical physics. p. 90. Springer-Verlag, Berlin
13. Kawasaki K (1972) Kinetics of Ising model. In: Domb C, Green MS, Ed., Phase transitions and critical phenomena, Vol 2, p. 443, Academic, New York
14. Loewenstein W (1954) The distribution of aluminium in the tetrahedra of silicates and aluminatcs. Am Mineral 39:92-96
15. Meagher EP, Gibbs GV (1977) The polymorphism of cordierite II: The crystal structure of indialite. Can Mineral 15: 43-49
16. 2 polymorphs, quartz, forsterite, diopside. Am Mineral 71: 142-150
17. Putnis A (1992) Introduction to Mineral Sciences. Cambridge University Press, Cambridge
18. Putnis A, Angel RA (1985) Al, Si ordering in cordierite using "magic angle spinning" NMR. II: Models of Al, Si order from NMR data Phys Chem Minerals 12: 217-222
19. 29 spectra of synthetic cordierite. Phys Chem Minerals 12: 211-216
20. 2. J Chem Soc Chem Comm 1271-1273
21. 2 system: composition, polymorphism and thermal expansion. Sci Ceram 9: 256-263
22. Thayaparam S, Dove MT, Heine V (1994) A computer simulation study of Al/Si ordering in gehlenite and the paradox of low transition temperature Phys Chem Minerals 21: 110-116
23. Winkler B, Dove MT, Leslie M (1991) Static lattice energy minimisation and lattice dynamics calculations on aluminosilicate minerals. Am Mineral 76: 313-331
24. Yeomans JM (1992) Statistical mechanics of phase transitions. Clarendon Press, Oxford