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A Comparative Rietveld Refinement Study of Natisite Prepared in Different Morphology

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Abstract

Two morphological types of the synthetic analogue of the mineral natisite Na2TiSiO5 have been prepared in the system Na2O–TiO2–SiO2–H2O. The crystal structures of the obtained pillow (A)- and coin (B)-shaped particles have been refined with similar parameters by the method of Rietveld, compared to each other and to the available single crystal X-ray diffraction data. Sample B showed bigger unit cell with longer a = b and shorter c-axis when compared with phase A. The shorter a = b axes in phase A led to compensative elongation of the c-axis and notably longer terminal bond distance in the TiO5 semi-octahedra. Analysis of the refined structural parameters showed that Ti–O bond of the unshared apical oxygen is the most responsive to the lattice strain. Additionally, the overall mechanism of structural response to the observed microstructural distortions is discussed.

Graphical Abstract

The possible influence of different particle morphology on the Rietveld refinement results of synthetic natisite has been evaluated

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Acknowledgments

This work was supported by SEMAT and FCT, Project PTDC/CTM/108953/2008.

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  1. Department of Physics, University of Minho, 4800-058, Guimarães, Portugal

    Stanislav Ferdov

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  1. Stanislav Ferdov
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Correspondence to Stanislav Ferdov.

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Ferdov, S. A Comparative Rietveld Refinement Study of Natisite Prepared in Different Morphology. J Chem Crystallogr 43, 443–447 (2013). https://doi.org/10.1007/s10870-013-0443-9

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  • DOI: https://doi.org/10.1007/s10870-013-0443-9

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