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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

Ed. by Antipov, Evgeny / Bismayer, Ulrich / Boldyreva, Elena V. / Friese, Karen / Huppertz, Hubert / Tiekink, E. R. T.

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IMPACT FACTOR 2016: 3.179

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2196-7105
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Volume 140, Issue 5-6

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A nuclear magnetic resonance study of the phase transition in anorthite, CaAl2Si2O8

J. L. Staehli / D. Brinkmann
Published Online: 2010-07-28 | DOI: https://doi.org/10.1524/zkri.1974.140.5-6.360

Abstract

The nuclear magnetic resonance (NMR) of 27A1 in anorthite (CaAl2Si2O8) has been studied as a function of temperature. At the critical temperature Tc = 241 ± 4°C a complete reversible structural phase transition takes place: two sites each out of the eight inequivalent Al sites of the low-temperature phase become equal at Tc resulting in only four inequivalent sites in the high-temperature phase. The field gradient tensors at the Al nuclear sites have been determined for temperatures below and above the transition.

From the results follows that the (Al,Si)O2 framework becomes body-centered at Tc. The NMR results are consistent with x-ray structure investigations if one assumes for the high-temperature phase a “jumping” of the Ca atoms between the two split positions.

The existence of two kinds of domains with different Bravais lattices would contradict the NMR results.

About the article

Published Online: 2010-07-28

Published in Print: 1974-12-02


Citation Information: Zeitschrift für Kristallographie - Crystalline Materials, Volume 140, Issue 5-6, Pages 360–373, ISSN (Online) 2196-7105, ISSN (Print) 2194-4946, DOI: https://doi.org/10.1524/zkri.1974.140.5-6.360.

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[1]
R.A. Marino, H.R. Wenk, J.A. Apps, and S.M. Klainer
Journal of Molecular Structure, 1980, Volume 58, Page 445
[3]
J. L. Staehli and D. Brinkmann
Zeitschrift für Kristallographie - Crystalline Materials, 1974, Volume 140, Number 5-6
[4]
Subrata Ghose, R. K. McMullan, and H.-P. Weber
Zeitschrift für Kristallographie - Crystalline Materials, 1993, Volume 204, Number 2
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Simon A. T. Redfern and Ekhard Salje
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R. J. Kirkpatrick and B. L. Phillips
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