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    Coupled (Li+, Al3+) substitutions in hydrous forsterite

    Access Status
    Fulltext not available
    Authors
    Zhang, Feiwu
    Wright, Kathleen
    Date
    2012
    Type
    Journal Article
    
    Metadata
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    Citation
    Zhang, Feiwu and Wright, Kate. 2012. Coupled (Li+, Al3+) substitutions in hydrous forsterite. American Mineralogist. 97 (2-3): pp. 425-429.
    Source Title
    American Mineralogist
    DOI
    10.2138/am.2012.3913
    ISSN
    0003004X
    URI
    http://hdl.handle.net/20.500.11937/24056
    Collection
    • Curtin Research Publications
    Abstract

    Atomistic computer simulations methods are used to examine the influence of Li and Al impurities on the uptake of hydrogen in forsterite. We find that Li'Mg+OH•O is more stable at the Mg1 site than at the Mg2 site and that Li+ increases the ability of forsterite to incorporate hydrogen associated with magnesium sites. When both Al and Li are present, then a complex comprising a bound Al•Mg2–Li'Mg1 defect is highly stable. When all three impurity components are mixed together, then hydrogen will strongly partition to Si vacancies forming the hydrogarnet defect. Thus the ability of forsterite to incorporate water is likely to be intimately linked to the nuances of defect chemistry, and to concentrations of impurity elements such as Li+ and Al3+.

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