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Panero 2006
Panero, W.R. (2006). Aluminum incorporation in stishovite. Geophysical Research Letters 33: doi: 10.1029/2006GL027425. issn: 0094-8276.

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 K0 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.

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Abstract

Keywords
Geochemistry, Mineral and crystal chemistry, Mineral Physics, Elasticity and anelasticity, Mineral Physics, Equations of state, Mineral Physics, Physical thermodynamics, Tectonophysics, Earth's interior, composition and state (1212, 7207, 7208, 8105)
Journal
Geophysical Research Letters
http://www.agu.org/journals/gl/
Publisher
American Geophysical Union
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