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Issue 22, 2012
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Single crystal structure refinement of one- and two-layer hydrates of sodium fluorohectorite

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Abstract

Crystal structures of both one- and two-layer hydrates of sodium fluorohectorite were refined against single crystal data for the first time because melt synthesis yielded a sodium fluorohectorite showing little stacking disorder as compared to natural clays. In both hydrate phases, the relative shift of adjacent 2:1 layers is fixed by hydrogen-bonding between water molecules coordinated to interlayer cations and basal oxygen atoms of tetrahedral sheets encompassing the interlayer space. Despite some apparent diffuse scattering, a decent single crystal refinement of the semi-ordered structure of the one-layer hydrate is achieved, revealing structural details of the interlayer spacing for the first time. For the two-layer hydrate the structural model proposed for vermiculites is confirmed but a different ordering pattern of interlayer [Na(H2O)6]+ is suggested. While in the two-layer hydrate sodium cations reside at the centre of the interlayer space, in the one-layer hydrate sodium is displaced from the centre of the interlayer space either towards the upper or towards the lower tetrahedral sheet. This displacement allows for coordination to the hexagonal cavity on one side while the coordination sphere of sodium is completed by three coordinating water molecules on the other side. These three water molecules in turn are involved in hydrogen bonding to the opposite tetrahedral sheet.

Graphical abstract: Single crystal structure refinement of one- and two-layer hydrates of sodium fluorohectorite

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Publication details

The article was received on 13 Mar 2012, accepted on 16 Jun 2012 and first published on 20 Jun 2012


Article type: Paper
DOI: 10.1039/C2RA20457F
Citation: RSC Adv., 2012,2, 8452-8459

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    Single crystal structure refinement of one- and two-layer hydrates of sodium fluorohectorite

    H. Kalo, W. Milius and J. Breu, RSC Adv., 2012, 2, 8452
    DOI: 10.1039/C2RA20457F

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