Abstract
GEOPHYSICAL RESEARCH LETTERS,
VOL. 33,
L20317,
5 PP., 2006
doi:10.1029/2006GL027425
Aluminum incorporation in stishovite
Department of Geological Sciences, Ohio State University, Columbus, Ohio, USA
First-principles calculations of the structure, energetics, compressibility, and elastic constants of aluminous stishovite reveal that the dissolution of aluminum in stishovite can accommodate a significant population of both oxygen vacancies and hydrogen defects. The results show that the incorporation of aluminum in stishovite account for a 1.2(±0.1)% decrease in K 0 per mole percent dissolved aluminum, independent of dissolution mechanism (hydrous or anhydrous). Elastic constants, calculated to be in agreement with experimentally-derived values, indicate that the rutile to CaCl2 transition is likely to be unaffected by the dissolution of small amounts of aluminum and/or hydrogen. As a result, the dissolution of aluminum into stishovite in a subducting basaltic layer will have no more than a 0.2% effect on the density of that layer as it enters the lower mantle.
Received 10 July 2006; accepted 20 September 2006; published 28 October 2006.
Citation: (2006), Aluminum incorporation in stishovite, Geophys. Res. Lett., 33, L20317, doi:10.1029/2006GL027425.
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