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    Titanium substitution mechanisms in forsterite

    Access Status
    Fulltext not available
    Authors
    Berry, A.
    Walker, A.
    Herman, J.
    O'Neil, H.
    Foran, G.
    Gale, Julian
    Date
    2007
    Type
    Journal Article
    
    Metadata
    Show full item record
    Citation
    Berry, Andrew and Walker, Andrew and Hermann, Jorg and O'Neil, Hugh and Foran, Garry and Gale, Julian. 2007. Titanium substitution mechanisms in forsterite. Chemical Geology 242 (1-2): 176-186.
    Source Title
    Chemical Geology
    DOI
    10.1016/j.chemgeo.2007.03.010
    Faculty
    Department of Applied Chemistry
    Division of Engineering, Science and Computing
    Faculty of Science
    Remarks

    Berry, Andrew and Walker, Andrew and Hermann, Jorg and O'Neil, Hugh and Foran, Garry and Gale, Julian (2007) Titanium substitution mechanisms in forsterite, Chemical Geology 242(1-2):176-186.

    Copyright 2007 Elsevier B.V. All Rights Reserved.

    URI
    http://hdl.handle.net/20.500.11937/33653
    Collection
    • Curtin Research Publications
    Abstract

    Ti K-edge X-ray absorption near edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) spectra, together with atomic scale calculations, indicate that Ti occupies the Si site in anhydrous forsterite. The energy and intensity of the 1s .3d transition in the XANES spectrum is diagnostic of Ti on a four-coordinate site. The EXAFS spectra determine a Ti-O bond length of 1.81 0.01 This value is in excellent agreement with that of 1.8 A determined computationally by periodic density functional theory and an embedded cluster approach for Ti on the Si site; the calculated bond length for Ti on a Mg site is 2.0 Both computational methods further find that the direct substitution of Ti for Si is energetically favoured relative to substitution of Ti for Mg, charge balanced by either a Mg vacancy or Mg on a Si site. Together the results provide unambiguous evidence for Ti occupying the Si site in anhydrous forsterite. Ti-bearing olivine synthesised at upper mantle conditions in the presence of water, however, exhibits a pre-edge feature corresponding to six-fold coordination. This is consistent with the identification of a Ti-clinohumite-like point defect in samples of olivine from upper-mantle spinel peridotite. The change in Ti site thus provides a mechanism for the incorporation of water in olivine. The total Ti content of olivine will comprise varying contributions from Mg2 [4]TiO4 and Ti-clinohumite-like Mg[6]TiO2(OH)2 substitutions.

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