Investigation of Al/Si ordering in tetrahedral phyllosilicate sheets by Monte Carlo simulation

American Mineralogist

Volumn 89, Issue 1, 2004, Pages 176-184

  Palin, Erika J ^a   Dove, Martin T ^a  

^a UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

ALUMINUM COMPOUNDS; MICA; SILICON; SILICON COMPOUNDS;

AL-CONCENTRATION; ATOMIC INTERACTIONS; CRITICAL CONCENTRATION; DILUTION EFFECT; HEXAGONAL RINGS; METASTABILITIES; PHYLLOSILICATE; TETRAHEDRAL SHEETS;

MONTE CARLO METHODS;

CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; MONTE CARLO ANALYSIS; PHYLLOSILICATE;

EID: 0842279626     PISSN: 0003004X     EISSN: None     Source Type: Journal    
DOI: 10.2138/am-2004-0120     Document Type: Article

References (12)

1. Bosenick, A., Dove, M.T., Myers, E.R., Palin, E.J., Sainz-Díaz, C.I., Guiton, B., Warren, M.C., Craig, M.S., and Redfern, S.A.T. (2001) Computational methods for the study of energies of cation distributions: applications to cation-ordering phase transitions and solid solutions. Mineralogical Magazine, 65, 193-219.
2. 1 muscovite at room pressure and at 2 GPa. European Journal of Mineralogy, 6, 171-178.
3. 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 of leucite. American Mineralogist, 78, 486-492.
4. Dove, M.T., Thayaparam, S., Heine, V., and Hammonds, K. (1996) The phenomenon of low Al/Si ordering temperatures in aluminosilicate framework structures. American Mineralogist, 81, 349-362.
5. Gale, J.D. (1997) GULP: a computer program for the symmetry-adapted simulation of solids. Journal of the Chemical Society - Faraday Transactions, 93, 629-637.
6. Myers, E.R., Heine, V., and Dove, M.T. (1998) Thermodynamics of Al/Al avoidance in the ordering of Al/Si tetrahedral framework structures. Physics and Chemistry of Minerals, 25, 457-464.
7. Palin, E.J., Dove, M.T., Redfern, S.A.T., Bosenick, A., Sainz-Díaz, C.I., and Warren, M.C. (2001) Computational study of tetrahedral Al-Si ordering in muscovite. Physics and Chemistry of Minerals, 28, 534-544.
8. Palin, E.J., Dove, M.T., Redfern, S.A.T., Sainz-Díaz, C.I., and Lee, W.T. (2003a) Computational study of tetrahedral Al-Si and octahedral Al-Mg ordering in phengite. Physics and Chemistry of Minerals, 30, 293-304.
9. Palin, E.J., Dove, M.T., Sainz-Díaz, C.I., and Hernández-Laguna, A. (2004) A computational investigation of the Al/Fe/Mg order-disorder behaviour in the dioctahedral sheet of phyllosilicates. American Mineralogist, 89, 165-176.
10. Sainz-Díaz, C.I., Palin, E.J., Hernández-Laguna, A., and Dove, M.T. (2003) Octahedral cation ordering of illite and smectite. Theoretical exchange potential determination and Monte Carlo simulations. Physics and Chemistry of Minerals, 30, 382-392.
11. Sainz-Díaz, C.I., Palin, E.J., Dove, M.T., and Hernández-Laguna, A. (2003b) Ordering of Al, Fe and Mg cations in the octahedral sheet of smectites and illites by means of Monte Carlo simulations. American Mineralogist, 88, 1033-1045.
12. Warren, M.C., Dove, M.T., Myers, E.R., Bosenick, A., Palin, E.J., Sainz-Díaz, C.I., Guiton, B., and Redfern, S.A.T. (2001) Monte Carlo methods for the study of cation ordering in minerals. Mineralogical Magazine, 65, 221-248.