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    The multiple structures of vaterite

    Access Status
    Fulltext not available
    Authors
    Demichelis, Raffaella
    Raiteri, Paolo
    Gale, Julian
    Dovesi, Roberto
    Date
    2013
    Type
    Journal Article
    
    Metadata
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    Citation
    Demichelis, Raffaella and Raiteri, Paolo and Gale, Julian D. and Dovesi, Roberto. 2013. The multiple structures of vaterite. Crystal Growth and Design 13 (6): pp. 2247-2251.
    Source Title
    Crystal Growth and Design
    DOI
    10.1021/cg4002972
    ISSN
    15287483
    URI
    http://hdl.handle.net/20.500.11937/41074
    Collection
    • Curtin Research Publications
    Abstract

    For many years the nature of the disordered structure of vaterite, a calcium carbonate polymorph that plays a significant role in biomineralisation, has been debated. In the past year, two independent studies (Angew. Chem., Int. Ed., 51, 7041; CrystEngComm, 14, 44) have proposed new, yet different models on the basis of electron diffraction experiments and ab initio calculations, respectively. Here, it is shown that there are at least three effectively isoenergetic models that are equally likely to describe the vaterite structure at room temperature. These distinct models, each consisting of multiple structures, can explain the disorder of vaterite in terms of different orientations of the carbonate anions, multiple stacking sequences of the carbonate layers, and possible chiral forms. Hence, vaterite is not a single "disordered" structure but should instead be considered as a combination of different forms, each of which can exhibit rapid interchange between multiple structures that exhibit similar average properties.

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