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T-induced displacive phase transition of end-member Pb-lawsonite

Published online by Cambridge University Press:  02 January 2018

Martin Ende ,
Bernd Wunder ,
Monika Koch-Müller ,
Thoma. Pippinger ,
Gernot Buth ,
Gerald Giester ,
Christian L. Lengauer  and
Eugen Libowitzky
Martin Ende*
Affiliation:
Department of Mineralogy and Crystallography, University of Vienna, 1090 Vienna, Austria
Bernd Wunder
Affiliation:
Helmholtz-Zentrum Potsdam, GFZ German Research Centre for Geosciences, 14473 Potsdam, Germany
Monika Koch-Müller
Affiliation:
Helmholtz-Zentrum Potsdam, GFZ German Research Centre for Geosciences, 14473 Potsdam, Germany
Thoma. Pippinger
Affiliation:
Department of Mineralogy and Crystallography, University of Vienna, 1090 Vienna, Austria
Gernot Buth
Affiliation:
ANKA, Karlsruhe Institute of Technology (KIT), 76131 Karlsruhe, Germany
Gerald Giester
Affiliation:
Department of Mineralogy and Crystallography, University of Vienna, 1090 Vienna, Austria
Christian L. Lengauer
Affiliation:
Department of Mineralogy and Crystallography, University of Vienna, 1090 Vienna, Austria
Eugen Libowitzky
Affiliation:
Department of Mineralogy and Crystallography, University of Vienna, 1090 Vienna, Austria
*
*E-mail: [email protected]
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Abstract

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Pb-lawsonite, PbAl2[(OH)2|Si2O7]·H2O, space group Pbnm, was synthesized as crystals up to 15 μm × 5 μm × 5 μm in size by a piston cylinder technique at a pressure of ∼4 GPa and a temperature of 873 ± 10 K. Temperature-dependent powder and single-crystal X-ray diffraction (XRD) analyses partly using synchrotron radiation as well as Raman spectroscopic investigations reveal a phase transition around 445 K resulting in the Cmcm high-temperature structure. The transformation temperature is considerably higher than that of lawsonite around 273 K, which is characterized predominantly by proton order/disorder. The transition is confirmed using principal component analysis and subsequent hierarchical cluster analysis on both the powder XRD patterns and the Raman spectra. Furthermore, a non-uniform change is observed around 355 K, which is not as pronounced as the 445 K transition and apparently comes from enhanced hydrogen bonding, which stops the atom shifts in Pb-lawsonite. These are the same bonds that mainly characterize the phase transition in lawsonite around 273 K. In contrast, the structural transition of Pblawsonite at 445 K seems to originate from the interaction of the SiO4 tetrahedra and AlO6 octahedra framework with the Pb2+ cation. The structural environment of Pb2+ can be described by a 12-fold coordination above 445 K, which changes towards irregular ten-fold coordination below this temperature. An assignment of the O–H stretching Raman bands confirms moderately strong H bonds in Pb-lawsonite, whereas both strong and weak H bonds exist in lawsonite. Therefore, a further phase transition of Pblawsonite, similar to that of lawsonite around 273 K, is not expected.

Keywords

LawsonitePB-LawsoniteStructural Phase TransitionPrincipal Component AnalysisPCA
Type
Research Article
Information
Mineralogical Magazine , Volume 80 , Issue 2 , April 2016 , pp. 249 - 267
Creative Commons
Creative Common License - CCCreative Common License - BY
Copyright © The Mineralogical Society of Great Britain and Ireland 2016 This is an Open Access article, distributed under the terms of the Creative Commons Attribution license. (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted re-use, distribution, and reproduction in any medium, provided the original work is properly cited.
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 2016

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