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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

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

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Volume 224, Issue 5-6


Structural evolution of a 3T phengite mica up to 10 GPa: an in-situ single-crystal X-ray diffraction study

G. Diego Gatta / Nicola Rotiroti / Alessandro Pavese / Paolo Lotti / Nadia Curetti
Published Online: 2009-09-25 | DOI: https://doi.org/10.1524/zkri.2009.1131


The high-pressure structural evolution of a natural 3T-phengite [(K0.90Na0.05)S = 0.95(Al1.51Mg0.32Fe0.18Ti0.03)S = 2.04(Si3.40Al0.60)O10(OH)2, a = b = 5.2279(11) and c = 29.752(7) Å, space group: P3112] from Cima Pal (Sesia Zone, Western Alps, Italy) was studied by single-crystal X-ray diffraction with a diamond anvil cell under hydrostatic conditions up to about 10 GPa. Nine structural refinements were performed at selected pressures within the P-range investigated. The compressional behavior of the same phengite sample was previously studied up to about 27 GPa by synchrotron X-ray powder diffraction, and the corresponding P–V curve was modeled by a third-order Birch–Murnaghan Equation of State (BM-EoS). The significant elastic anisotropy of the 3T-phengite (i.e. β(c) > β(a)) is mainly controlled by the compression of the K-polyhedra. The evolution of the volume of the inter-layer K-polyhedron as a function of P is monotonic, without any evidence of discontinuity. Fitting the PV data with a truncated second-order BM-EoS, we obtain a bulk modulus value of K0(K-polyhedron) = 35(3) GPa. The tetrahedra and octahedra in the 3T-phengite structure are significantly less compressible than the K-polyhedron, and behave similarly to rigid units within the P-range investigated. The main P-induced effect on the tetrahedral sheet consists in a cooperative rotation of the tetrahedra, describable by the evolution of the “tetrahedral rotation angle” (or “ditrigonal rotation angle”, α) as a function of P. The value of the ditrigonal rotation angle increases significantly with P: α (°) = αP0 + 0.57(2)P (GPa) [R about 99%]. The volume of the K-polyhedron and the value of ditrigonal rotation parameter (α) are not independent of one another, showing a correlation of about 99%.

Keywords: 3T-mica; Phengite; High-pressure; Elastic behaviour; Structural evolution

About the article

* Correspondence address: Milano, Italien,

Published Online: 2009-09-25

Published in Print: 2009-05-01

Citation Information: Zeitschrift für Kristallographie International journal for structural, physical, and chemical aspects of crystalline materials, Volume 224, Issue 5-6, Pages 302–310, ISSN (Print) 0044-2968, DOI: https://doi.org/10.1524/zkri.2009.1131.

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