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An in situ study of the phase transitions among CaCO3 high-pressure polymorphs

Published online by Cambridge University Press:  02 July 2018

Xueyin Yuan ,
Chao Gao  and
Jing Gao
Xueyin Yuan*
Affiliation:
MNR Key Laboratory of Metallogeny and Mineral Assessment, Institute of Mineral Resources, Chinese Academy of Geological Sciences, Beijing 100037, China;
Chao Gao
Affiliation:
MNR Key Laboratory of Metallogeny and Mineral Assessment, Institute of Mineral Resources, Chinese Academy of Geological Sciences, Beijing 100037, China;
Jing Gao
Affiliation:
Key Laboratory of Orogenic Belts and Crustal Evolution, Ministry of Education, Peking University, Beijing 100871, China
*
*Author for correspondence: Xueyin Yuan, Email: xueyinyuan@live.com
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Abstract

The phase transitions involving calcite (CaCO3-I), CaCO3-II, CaCO3-III and CaCO3-IIIb were investigated using a diamond anvil cell and micro-Raman spectroscopy. Based on the results obtained from in situ observations and Raman measurements made with six natural calcite crystals, the phase transition from calcite to CaCO3-II took place between 1.56 and 1.67 GPa under ambient temperature. Under a precise pressure of 1.97 ± 0.03 GPa, three CaCO3 samples were observed to transform from CaCO3-II directly to CaCO3-III, while in the other three samples both CaCO3-III and CaCO3-IIIb crystal structures were detected. Transformation from CaCO3-IIIb to CaCO3-III was completed in a short period in one sample, whereas in the other two samples coexistence of CaCO3-III and CaCO3-IIIb was observed over a wide pressure range from 1.97 to 3.38 GPa, with sluggish transformation from CaCO3-IIIb to CaCO3-III being observed after the samples were preserved under 3.38 GPa for 72 h. Hence, it can be concluded that CaCO3-IIIb is a metastable intermediate phase occurring during the reconstructive transformation from CaCO3-II to CaCO3-III. Splitting of the C–O in-plane bending (ν4) and symmetric stretching (ν1) vibrations and appearance of new lattice vibrations in the Raman spectra of CaCO3-III and CaCO3-IIIb suggest a lowering in crystal symmetry during the transformation from CaCO3-II through CaCO3-IIIb to CaCO3-III, which is in good agreement with the observed sequence of phase symmetries.

Keywords

calciteCaCO3-IIICaCO3-IIIbphase transitionhigh pressure
Type
Article
Information
Mineralogical Magazine , Volume 83 , Issue 2 , April 2019 , pp. 191 - 197
Copyright
Copyright © Mineralogical Society of Great Britain and Ireland 2018 

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Footnotes

Associate Editor: Koichi Momma

References

Aidun, J.B. and Gupta, Y.M. (1995) Shear and compression waves in shocked calcium carbonate. Journal of Geophysical Research, 100, 1955–1980.Google Scholar
Bassett, W.A., Shen, A.H., Bucknum, M. and Chou, I.M. (1993) A new diamond anvil cell for hydrothermal studies to 2.5 GPa and from −190 to 1200°C. Review of Scientific Instruments, 64, 2340–2345.Google Scholar
Bridgman, P.W. (1938) The high pressure behavior of miscellaneous minerals. American Journal of Science, 237, 7–18.Google Scholar
Buzgar, N. and Apopei, A.I. (2009) The Raman study of certain carbonates. Analele Stiintifice de Universitatii AI Cuza din Iasi. Sect. 2, Geologie, 55, 97–112.Google Scholar
Catalli, K. and Williams, Q. (2005) Letter: A high-pressure phase transition of calcite-III. American Mineralogist, 90, 1679–1682.Google Scholar
Davis, B.L. (1964) X-ray diffraction data on two high-pressure phases of calcium carbonate. Science, 145, 489–491.Google Scholar
Fong, M.Y. and Nicol, M. (1971) Raman spectrum of calcium carbonate at high pressures. The Journal of Chemical Physics, 54, 579–585.Google Scholar
Fu, P. and Zheng, H. (2013) Raman spectra of aragonite and calcite at high temperature and high pressure. Spectroscopy and Spectral Analysis, 33, 1557–1561.Google Scholar
Gillet, P., Biellmann, C., Reynard, B. and Mcmillan, P.F. (1993) Raman spectroscopic studies of carbonates part I: High-pressure and high-temperature behaviour of calcite, magnesite, dolomite and aragonite. Physics and Chemistry of Minerals, 20, 1–18.Google Scholar
Hess, N.J., Ghose, S. and Exarhos, G.J. (1991) Raman spectroscopy at simultaneous high pressure and temperature: Phase relations of CaCO3 and the lattice dynamics of the calcite CaCO3 (II) transition. Proceedings of the Recent Trends in High Pressure Research; Proc. X IIIth AIRAPT International Conference on High Pressure Science and Technology, 1991, Pp. 236–241.Google Scholar
Koch-Müller, M., Jahn, S., Birkholz, N., Ritter, E. and Schade, U. (2016) Phase transitions in the system CaCO3 at high P and T determined by in situ vibrational spectroscopy in diamond anvil cells and first-principles simulations. Physics and Chemistry of Minerals, 43, 545–561.Google Scholar
Kondo, S., Suito, K. and Matsushima, S. (1972) Ultrasonic observation of calcite I–II inversion to 700°C. Journal of Physics of the Earth, 20, 245–250.Google Scholar
Litasov, K.D. and Ohtani, E. (2009) Solidus and phase relations of carbonated peridotite in the system CaO–Al2O3–MgO–SiO2–Na2O–CO2 to the lower mantle depths. Physics of the Earth and Planetary Interiors, 177, 46–58.Google Scholar
Liu, C., Hai-Fei, Z. and Wang, D. (2017) Raman spectroscopic study of calcite III to aragonite transformation under high pressure and high temperature. High Pressure Research, 37(4), 1–13.Google Scholar
Liu, C. and Zheng, H. (2012) In situ experimental study of phase transition of calcite by Raman spectroscopy at high temperature and high pressure. Spectroscopy and Spectral Analysis, 32, 378.Google Scholar
Liu, L.-G. and Mernagh, T.P. (1990) Phase transitions and Raman spectra of calcite at high pressures and room temperature. American Mineralogist, 75, 801–806.Google Scholar
Ma, Y., Zhou, Q., He, Z., Li, F., Yang, K., Cui, Q. and Zou, G. (2007) High-pressure and high-temperature study of the phase transition in anhydrite. Journal of Physics: Condensed Matter, 19, 425221.Google Scholar
Merlini, M., Crichton, W.A., Chantel, J., Guignard, J. and Poli, S. (2014) Evidence of interspersed co-existing CaCO3-III and CaCO3-IIIb structures in polycrystalline caco3 at high pressure. Mineralogical Magazine, 78, 225–233.Google Scholar
Merlini, M., Hanfland, M. and Crichton, W.A. (2012) CaCO3-III and CaCO3-VI, high-pressure polymorphs of calcite: Possible host structures for carbon in the earth's mantle. Earth and Planetary Science Letters, 333, 265–271.Google Scholar
Merrill, L. and Bassett, W.A. (1975) The crystal structure of CaCO3 (II), a high-pressure metastable phase of calcium carbonate. Acta Crystallographica Section B: Structural Crystallography and Crystal Chemistry, 31, 343–349.Google Scholar
Mirwald, P.W. (1976) A differential thermal analysis study of the high-temperature polymorphism of calcite at high pressure. Contributions to Mineralogy and Petrology, 59, 33–40.Google Scholar
Oganov, A.R., Glass, C.W. and Ono, S. (2006) High-pressure phases of CaCO3: Crystal structure prediction and experiment. Earth and Planetary Science Letters, 241, 95–103.Google Scholar
Oganov, A.R., Ono, S., Ma, Y., Glass, C.W. and Garcia, A. (2008) Novel high-pressure structures of MgCO3, CaCO3 and CO2 and their role in Earth's lower mantle. Earth and Planetary Science Letters, 273, 38–47.Google Scholar
Ono, S., Kikegawa, T. and Ohishi, Y. (2007) High-pressure transition of CaCO3. American Mineralogist, 92, 1246–1249.Google Scholar
Ono, S., Kikegawa, T., Ohishi, Y. and Tsuchiya, J. (2005) Post-aragonite phase transformation in CaCO3 at 40 GPa. American Mineralogist, 90, 667–671.Google Scholar
Pippinger, T., Miletich, R., Merlini, M., Lotti, P., Schouwink, P., Yagi, T., Crichton, W.A. and Hanfland, M. (2015) Puzzling calcite-III dimorphism: Crystallography, high-pressure behavior, and pathway of single-crystal transitions. Physics and Chemistry of Minerals, 42, 29–43.Google Scholar
Suito, K., Namba, J., Horikawa, T., Taniguchi, Y., Sakurai, N., Kobayashi, M., Onodera, A., Shimomura, O. and Kikegawa, T. (2001) Phase relations of CaCO3 at high pressure and high temperature. American Mineralogist, 86, 997–1002.Google Scholar
Toledano, P. and Dmitriev, V. (1995) Theory of reconstructive phase transitions in crystals of the elements and related structures. Pp. 311–338 in: Diffusionless Phase Transitions in Oxides and some Reconstructive and Martensitic Phase Transitions (Boulesteix, C., editor). Key Engineering Materials, V.101–102. Trans Tech Publications, Switzerland.Google Scholar
Wang, S.-X. and Zheng, H.-F. (2011) Research on Raman spectra of calcite phase transition at high pressure. Spectroscopy and Spectral Analysis, 31, 2117–2119.Google Scholar
Yuan, X. and Mayanovic, R.A. (2017) An empirical study on Raman peak fitting and its application to Raman quantitative research. Applied Spectroscopy, 71, 2325–2338.Google Scholar
Yuan, X., Mayanovic, R.A. and Zheng, H. (2016) Determination of pressure from measured Raman frequency shifts of anhydrite and its application in fluid inclusions and HDAC experiments. Geochimica et Cosmochimica Acta, 194, 253–265.Google Scholar