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A variable-temperature neutron diffraction study of ussingite; a strong asymmetric hydrogen bond in an aluminosilicate framework

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Abstract

A powder neutron diffraction study of ussingite, Na2AlSi3O8(OH), over the temperature range 4–850 K has been undertaken. The strong hydrogen bond that exists in this mineral has been accurately determined with the O–H distance at 1.070(8) Å and an O(donor)–O(acceptor) separation of 2.481(5) Å at 4 K, The distribution of hydrogen along the O–O direction remains asymmetric between 4 and 850 K with the H atom being fully ordered at a single site, rather than partially disordered over two sites of a double-potential well, as in serandite. A gradual increase in the bonded O–H distance at higher temperatures is observed, indicative of a broadening of the potential well in which the hydrogen atom is sited. Below 50 K, the material shows negative thermal expansion, likely to be associated with reduced bending motion of the O–H bond.

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Acknowledgments

This research was supported by the EPSRC (EP/G068038/1). We also thank ILL for the provision of neutron beam time under proposal 5-21-1025.

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  1. School of Chemistry, University of Southampton, Southampton, SO17 1BJ, UK

    E. R. Williams & M. T. Weller

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  1. E. R. Williams
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  2. M. T. Weller
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Correspondence to M. T. Weller.

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Williams, E.R., Weller, M.T. A variable-temperature neutron diffraction study of ussingite; a strong asymmetric hydrogen bond in an aluminosilicate framework. Phys Chem Minerals 39, 471–478 (2012). https://doi.org/10.1007/s00269-012-0501-4

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  • DOI: https://doi.org/10.1007/s00269-012-0501-4

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