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Issue 3, 2003
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The layering effect of water on the structure of scheelite

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Abstract

Density functional theory calculations of the calcium tungstate material scheelite CaWO4 have shown that water introduced into the bulk material remains undissociated and leads to swelling and layering of the structure, a behaviour which may resemble silicate clays more than three-dimensional poly-anionic materials, but which results in a structure that is even more similar to a rare hydrous calcium carbonate phase—a finding which suggests the existence of semi-crystalline hydrous precursor phases to the dehydrated scheelite material.

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Publication details

The article was received on 25 Oct 2002, accepted on 09 Dec 2002 and first published on 17 Dec 2002


Article type: Communication
DOI: 10.1039/B210461J
Citation: Phys. Chem. Chem. Phys., 2003,5, 433-436
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    The layering effect of water on the structure of scheelite

    N. H. de Leeuw and T. G. Cooper, Phys. Chem. Chem. Phys., 2003, 5, 433
    DOI: 10.1039/B210461J

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