Quick Search:    advanced search

GSW Home   GeoRef Home   My GSW Alerts   Contact GSW   About GSW   Journals List   Help

This Article Full Text Full Text (PDF) Alert me when this article is cited Alert me if a correction is posted Services Email this article to a friend Similar articles in this journal Alert me to new issues of the journal Download to citation manager Citing Articles Citing Articles via HighWire Citing Articles via Google Scholar Google Scholar Articles by Kenny, S. D. Articles by Refson, K. Search for Related Content GeoRef GeoRef Citation

The ab initio study of the stability of low temperature Al/Si ordered albite, NaAlSi₃O₈

Steven D. Kenny^*, J. Desmond C. McConnell and Keith Refson

Department of Earth Sciences, Parks Road, Oxford OX1 3PR, U.K.

Correspondence: E-mail: Keith.Refson{at}earth.ox.ac.uk

The energetics of different ordering schemes for NaAlSi₃O₈ (albite) were investigated by both empirical potential and ab initio methods. These computations indicate that the ordered structure of natural low albite, in which aluminum atoms reside on the T₁₀ site, is favored by 30 meV (2.9 kJ/mol) over the corresponding structure in which aluminum atoms are ordered onto the T₂₀ site. Permissible lattice relaxation of the T₁₀ structure, with an associated substantial decrease in the lattice angle, is unique to the T₁₀ structure and appears to be responsible for its substantially lower enthalpy.

This article has been cited by other articles:

				J. D. C. McConnell THE ORIGIN AND CHARACTERISTICS OF THE INCOMMENSURATE STRUCTURES IN THE PLAGIOCLASE FELDSPARS Can Mineral, December 1, 2008; 46(6): 1389 - 1400. [Abstract] [Full Text] [PDF]