Hostname: page-component-8448b6f56d-cfpbc Total loading time: 0 Render date: 2024-04-18T23:10:23.766Z Has data issue: false hasContentIssue false
  • English
  • Français

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: martin.ende@univie.ac.at
Rights & Permissions [Opens in a new window]

Abstract

Core share and HTML view are not available for this content. However, as you have access to this content, a full PDF is available via the ‘Save PDF’ action button.

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

References

Armbruster, T., Oberhänsli, R., Bermanec, V and Dixon, R. (1993) Hennomartinite and kornite, two new Mn +rich silicates from the Wessels Mine, Kalahari, South Africa. Schweizerische Mineralogische und Petrographische Mitteilungen, 73, 349–355. Google Scholar
Brovarone, A.V. and Beyssac, O. (2014) Lawsonite metasomatism: a new route for water to the deep Earth. Earth and Planetary Science Letters, 393,275–284 CrossRefGoogle Scholar
Carpenter, M.A. (2006) Elastic properties of minerals and the influence of phase transitions. American Mineralogist, 91,229–246 CrossRefGoogle Scholar
Carpenter, M.A., Meyer, H.W., Sondergeld, P., Marion, S. and Knight, K.S. (2003) Spontaneous strain variations through the low temperature phase transitions of deuterated lawsonite. American Mineralogist, 88, 534–546. CrossRefGoogle Scholar
Cattell, R.B. (1966) The scree test for the number of factors. Multivariate Behavioural Research, 1, 245–276. CrossRefGoogle ScholarPubMed
Coelho, A.A. (2007) TOPAS academic version 4.1. Coelho software, Brisbane, Australia.Google Scholar
Császár, A.G., Czakó, G., Furtenbacher, T., Tennyson, J., Szalay, V., Shirin, S.V., Zobov, N.F. and Polyansky, O.L. (2005) On equilibrium structures of the water molecule. Journal of Chemical Physics, 122,214305.CrossRefGoogle ScholarPubMed
Daniel, L., Fiquet, G., Gillet, P., Schmidt, M.W. and Hanfland, M. (1999) P-V-T equation of state of lawsonite. Physics and Chemistry of Minerals, 26, 406–14.CrossRefGoogle Scholar
Dörsam, G., Liebscher, A., Wunder, B., Franz, G. and Gottschalk, M. (2011) Synthesis of Pb-zoisite and Pb-lawsonite. Neues Jahrbuch für Mineralogie — Abhandlungen, 188,99–110 CrossRefGoogle Scholar
Farmer, V.C. (1974) The Infrared Spectra of Minerals. Mineralogical Society, London.CrossRefGoogle Scholar
Frost, R.L., Bouzaid, J.M. and Reddy, B.J. (2007) Vibrational spectroscopy of the sorosilicate mineral hemimorphite Zri4(OH)2Si2O7'H2O. Polyhedron, 26, 2405–2412. CrossRefGoogle Scholar
Gabelica-Robert, M. and Tarte, P. (1979) Synthesis, X-ray diffraction and vibrational study of silicates and germanates isostructural with kentrolite Pb2Mn2Si2O9. Journal of Solid State Chemistry, 27, 179–190. CrossRefGoogle Scholar
Hahn, T. (2005) International Tables for Crystallography Volume A: Space-group Symmetry. Corrected reprint of the fifth edition, Wiley, New York.Google Scholar
Hofmeister, A.M., Hoering, T.C. and Virgo, D. (1987) Vibrational spectroscopy of beryllium aluminosili-cates: heat capacity calculations from band assign¬ments. Physics and Chemistry of Minerals, 14, 205–224. CrossRefGoogle Scholar
Kawachi, Y and Coombs, D.S. (1996) Noélbensonite, a new BaMn silicate of the lawsonite structure type, from Woods mine, New South Wales, Australia. Mineralogical Magazine, 60, 369—374.CrossRefGoogle Scholar
Kieffer, S.W. (1979) Thermodynamics and lattice vibra¬tions of minerals: 3. Lattice dynamics and an approximation for minerals with application to simple substances and framework silicates. Reviews of Geophysics and Space Physics, 17, 35—59 CrossRefGoogle Scholar
Kieffer, S.W. (1980) Thermodynamics and lattice vibra-tions of minerals: 4. Application to chain and sheet silicates and orthosilicates. Reviews of Geophysics and Space Physics, 18,862–886 CrossRefGoogle Scholar
Kozlova, S.G. and Gabuda, S.P. (2013) Single-crystal 1H NMR data and hydrogen atom disorder in lawsonite, CaAl2[Si2O7](OH)2-H2O. Journal of Structural Chemistry, 54, 146–151. CrossRefGoogle Scholar
Larson, A.C. and Von Dreele, R.B. (1994) General Structure Analysis System (GSAS), Los Alamos National Laboratory Report, 86-748.Google Scholar
Lazarev, A.N. (1972) Vibrational Spectra and Structure of Silicates. Consultant Bureau, New York.Google Scholar
LeBail, A., Duroy, H. and Fourquest, J.L. (1988) Ab initio structure determination of LiSbWO6 by X-ray powder diffraction. Materials Research Bulletin, 23,447–452 CrossRefGoogle Scholar
Le Cléac'h, A. and Gillet, P. (1990) IR and Raman spectroscopic study of natural lawsonite. European Journal of Mineralogy, 2, 43—53.CrossRefGoogle Scholar
Libowitzky, E. (1999) Correlation of O-H stretching frequencies and O-H O hydrogen bond lengths in minerals. Monatshefte für Chemie, 130,1047–1059 CrossRefGoogle Scholar
Libowitzky, E. and Armbruster, T. (1995) Low-tempera¬ture phase transitions and the role of hydrogen bonds in lawsonite. American Mineralogist, 80, 1277—1285 CrossRefGoogle Scholar
Libowitzky, E. and Armbruster, T. (1996) Lawsonite-type phase transition in hennomartinite, SrMn2[Si2O7] (OH)2-H2O. American Mineralogist, 81, 9–18. CrossRefGoogle Scholar
Libowitzky, E. and Rossman, G.R. (1996) FTIR spec-troscopy of lawsonite between 82 and 325 K. American Mineralogist, 81, 1080–1091. CrossRefGoogle Scholar
Liebscher, A., Dörsam, G., Franz, G., Wunder, B. and Gottschalk, M. (2010) Crystal chemistry of synthetic lawsonite solid-solution series CaAl2[(OH)2/ Si2O7]-H2O-SrAl2[(OH)2/Si2O7]-H2O and th. Cmcm-P21/m phase transition. American Mineralogist, 95, 724–735. Google Scholar
Mejía-Uriarte, E.V., Sato-Berru, R.Y., Navarrete, M., Kolokoltsev, O. and Saniger, J.M. (2012) Determination of phase transition by principal compo¬nent analysis applied to Raman spectra of poly crystal¬line BaTiO3 at low and high temperature. Journal of Applied Research and Technology, 10, 57–62. CrossRefGoogle Scholar
Mevel, C. and Kienast, J.R. (1980) Chromian jadeite, phengite, pumpellyite, and lawsonite in a high-pressure metamorphosed gabbro from the French Alps. Mineralogical Magazine, 43,979—984 CrossRefGoogle Scholar
Meyer, H.W., Marion, S., Sondergeld, P., Carpenter, M.A., Knight, K.S., Redfern, S.A.T.. and Dove, M.T. (2001) Displacive components of the low-temperature phase transitions in lawsonite. American Mineralogist, 86, 566–577. CrossRefGoogle Scholar
Miyajima, H., Matsubara, S., Miyawaki, R. and Ito, K. (1999) Itoigawaite, a new mineral, the Sr analogue of lawsonite, in jadeitite from the Itoigawa-Ohmi district, central Japan. Mineralogical Magazine, 63, 909–916. CrossRefGoogle Scholar
Novak, A. (1974) Hydrogen bonding in solids. Correlation of spectroscopic and crystallographic data. Structure and Bonding (Berlin), 18, 177–216. CrossRefGoogle Scholar
Origlieri, M.J., Yang, H., Downs, R.T., Posner, E.S., Domanik, K.J. and Pinch, W.W. (2012) The crystal structure of bartelkeite, with a revised chemical formula, PbFeGeVI(Ge2 vO7)(OH)2-H2O, isotypic with high-pressur. P21/m lawsonite. American Mineralogist, 97, 1812–1815. CrossRefGoogle Scholar
Pavlov, S.V. (2013) A phenomenological model of phase transitions in lawsonite. Moscow University Physics Bulletin, 68, 139–142. CrossRefGoogle Scholar
Pawley, A.R. and Allan, D.R. (2001) A high-pressure structural study of lawsonite using angle-dispersive powder-diffraction methods with synchrotron radi-ation. Mineralogical Magazine, 65, 41–58. CrossRefGoogle Scholar
Pearson, K. (1901) On lines and planes of closest fit to a system of points in space. Philosophical Magazine, 2, 559–572. Google Scholar
Pechini, M.P. (1967) Method of preparing lead and alkaline earth titanates and niobates and coating method using the same to form a capacitor. US Patent 3,330,697.Google Scholar
Pefficek, V., Dušek, M. and Palatinus, L. (2006) JANA2006. Institute of Physics, Prague.Google Scholar
Raab, S. (2010) Synthese und Charakterisierung nanos-kaliger hydraulisch hochreaktiver Phasen des Portland- und Tonerdezements. PhD thesis, Martin-Luther-Universität Halle-Wittenberg, Germany.Google Scholar
Rietveld, H.M. (1967) Line profiles of neutron powder-diffraction peaks for structure refinement. Acta Crystallographica, 22,151–152 CrossRefGoogle Scholar
Salje, E.K.H.. and Carpenter, M.A. (2011) Thermally activated proton hopping in lawsonite, the ferroelectric transition at 125 K, and the co-elastic phase transition at 270 K. Journal of Physics: Condensed Matter, 23,112208.Google ScholarPubMed
Salje, E.K.H.., Crossley, S., Kar-Narayan, S., Carpenter, M.A. and Mathur, N.D. (2011) Improper ferroelectri-city in lawsonite CaAl2Si2O7(OH)2-H2O: hysteresis and hydrogen ordering. Journal of Physics: Condensed Matter, 23,222202.Google ScholarPubMed
Sato-Berru, R.Y., Mejía-Uriarte, E.V., Frausto-Reves, C., Villagrán-Muniz, M., Murrieta, S.H. and Saniger, J.M. (2007) Application of principal component analysis and Raman spectroscopy in the analysis of polycrys-talline BaTiO3 at high pressure. Spectrochimica Acta, A66, 557–560. CrossRefGoogle Scholar
Schmidt, M.W. and Poli, S. (1994) The stability of lawsonite and zoisite at high pressures: experiments in CASH to 92 kbar and implications for the presence of hydrous phases in subducted lithosphere. Earth and Planetary Science Letters, 124,105–118 CrossRefGoogle Scholar
Shannon, R.D. (1976) Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides. Acta Crystallographica, A32, 751–767. CrossRefGoogle Scholar
Sheldrick, G.M. (2008) A short history of SHELX. Acta Crystallographica, A64, 112—122 CrossRefGoogle Scholar
Sherlock, S.C. and Okay, A.I. (1999) Oscillatory zoned chrome lawsonite in the Tavganh Zone, northwest Turkey. Mineralogical Magazine, 63,687–692 CrossRefGoogle Scholar
Sondergeld, P., Schranz, W., Tröster, A., Armbruster, T., Giester, G., Kityk, A. and Carpenter, M.A. (2005) Ordering and elasticity associated with low-temperature phase transitions in lawsonite. American Mineralogist, 90, 448–456.CrossRefGoogle Scholar
Tasci, E.S., de la Flor, G., Orobengoa, D., Capillas, C. and Perez-Mato, J.M. (2012) An introduction to the tools hosted in the Bilbao Crystallographic Server. EPJ Web of Conferences, 22, 1–22.CrossRefGoogle Scholar
Toby, B.H. (2001) EXPGUI, a graphical user interface for GSAS. Journal of Applied Crystallography, 34, 210–213.CrossRefGoogle Scholar
Wondraschek, H. and Müller, U. (2010) International Tables for Crystallography Volume A1: Symmetry Relations Between Space Groups. Second edition, Wiley, New York.Google Scholar