Abstract
Diamond-anvil cell (DAC) experiments focusing on the solubility of carbonates and aqueous carbon speciation at subduction zones require pressure monitoring with sensitive, chemically inert sensors. Commonly used pressure indicators are either too insensitive or prone to contaminate pressure-transmitting media due to their increased solubility at high pressure and/or temperature (P-T). Here, the P- and T-induced frequency shifts of the Raman vibrational modes of natural crystalline carbonate minerals aragonite, calcite, dolomite, magnesite, rhodochrosite, and siderite have been calibrated for application as Raman spectroscopic P and T sensors in DACs up to 500 °C and 6 GPa. The shifts of all modes are quasi-constant over the observed P and T ranges and are generally less prominent for internal modes than for external modes. Our method provides a sensitive and robust alternative to traditional pressure calibrants, and has three principal advantages: (1) higher sensitivity (for particular Raman vibrational modes), (2) monitoring P-T-induced shifts of several modes allows even more accurate P-T determination, and (3) no contamination of pressure-transmitting media by foreign materials can occur. Additionally, the isobaric and isothermal equivalent of the Grüneisen parameter and the anharmonic parameter for each of the traced modes have been determined.
Acknowledgments
The Sedgwick Museum of Earth Sciences, University of Cambridge, is acknowledged for dolomite, rhodochrosite, and siderite samples. Daniel Ozdín is acknowledged for the magnesite sample. Giulio I. Lampronti and Iris Buisman are acknowledged for their assistance with XRD and EPMA analysis, respectively. This research was funded by NERC through grant NE/P019714/1 to S.A.T.R. and a NERC DTP studentship to S.F.
References cited
Ague, J.J., and Nicolescu, S. (2014) Carbon dioxide released from subduction zones by fluid-mediated reactions. Nature Geoscience, 7, 355–360.10.1038/ngeo2143Search in Google Scholar
Andreani, M., Daniel, I., and Pollet-Villard, M. (2013) Aluminum speeds up the hydrothermal alternation of olivine. American Mineralogist, 98, 1738–1744.10.2138/am.2013.4469Search in Google Scholar
Antao, S.M., and Hassan, I. (2010) Temperature dependence of the structural parameters in the transformation of aragonite to calcite, as determined from in situ synchrotron powder X‑ray-diffraction data. Canadian Mineralogist, 48, 1225–1236.10.3749/canmin.48.5.1225Search in Google Scholar
Archer, T.D., Birse, S.E.A., Dove, M.T., Redfern, S.A.T., Gale, J.D., and Cygan, R.T. (2003) An interatomic potential model for carbonates allowing for polarization effects. Physics and Chemistry of Minerals, 30, 416–424.10.1007/s00269-002-0269-zSearch in Google Scholar
Barnett, J.D., Block, S., and Piermarini, G.J. (1973) An optical fluorescence system for quantitative pressure measurement in the diamond-anvil cell. Review of Scientific Instruments, 44, 1–9.10.1063/1.1685943Search in Google Scholar
Bernini, D., Audétat, A., Dolejš, D., and Keppler, H. (2013) Zircon solubility in aqueous fluids at high temperatures and pressures. Geochimica et Cosmochimica Acta, 119, 178–187.10.1016/j.gca.2013.05.018Search in Google Scholar
Born, M., and Huang, K. (1954) Dynamical Theory of Crystal Lattices. Clarendon.Search in Google Scholar
Bridgman, P.W. (1938) The high pressure behavior of miscellaneous minerals. American Journal of Science, 237, 7–18.10.2475/ajs.237.1.7Search in Google Scholar
Cerantola, V., McCammon, C., Kupenko, I., Kantor, I., Marini, C., Wilke, M., Ismailova, L., Solopova, N., Chumakov, A., Pascarelli, S., and others. (2015) High-pressure spectroscopic study of siderite (FeCO3 with a focus on spin crossover. American Mineralogist, 100, 2670–2681.10.2138/am-2015-5319Search in Google Scholar
Chaney, J., Santillán, J.D., Knittle, E., and Williams, Q. (2015) A high-pressure infrared and Raman spectroscopic study of BaCO3 the aragonite, trigonal and Pmmn structures. Physics and Chemistry of Minerals, 1, 83–93.10.1007/s00269-014-0702-0Search in Google Scholar
Chariton, S., Cerantola, V., Ismailova, L., Bykova, E., Bykov, M., Kupenko, I., McCammon, C., and Dubrovinsky, L. (2017) The high‑pressure behavior of spherocobaltite (CoCO3: a single crystal Raman spectroscopy and XRD study. Physics and Chemistry of Minerals, 45, 59–68.10.1007/s00269-017-0902-5Search in Google Scholar
Chen, C.C., Lin, C.C., Liu, L.G., Sinogeikin, S.V., and Bass, J.D. (2001) Elasticity of single-crystal calcite and rhodochrosite by Brillouin spectroscopy. American Mineralogist, 86, 1525–1529.10.2138/am-2001-11-1222Search in Google Scholar
Couture, L. (1947) Etude des spectres de vibration de monocristaux ioniques. In Annales de physique. Vol. 12. No. 2, pp. 5–94. EDP Sciences.10.1051/anphys/194711020005Search in Google Scholar
Dasgupta, R., and Hirschmann, M.M. (2006) Melting in the Earth’s deep upper mantle caused by carbon dioxide. Nature, 440, 659–662.10.1038/nature04612Search in Google Scholar PubMed
Dasgupta, R., and Hirschmann, M.M. (2010) The deep carbon cycle and melting in Earth’s interior. Earth and Planetary Science Letters, 298, 1–13.10.1016/j.epsl.2010.06.039Search in Google Scholar
Dasgupta, R., Hirschmann, M.M., and Withers, A.C. (2004) Deep global cycling of carbon constrained by the solidus of anhydrous, carbonated eclogite under upper mantle conditions. Earth and Planetary Science Letters, 227, 73–85.10.1016/j.epsl.2004.08.004Search in Google Scholar
Datchi, F., Loubeyre, P., and LeToullec, R. (2000) Extended and accurate determination of the melting curves of argon, helium, ice (H2O), and hydrogen (H2. Physical Review B, 61, 6535–6546.10.1103/PhysRevB.61.6535Search in Google Scholar
Datchi, F., Dewaele, A., Loubeyre, P., Letoullec, R., Le Godec, Y., and Canny, B. (2007) Optical pressure sensors for high-pressure–high-temperature studies in a diamond anvil cell. High Pressure Research, 27, 447–463.10.1080/08957950701659593Search in Google Scholar
De La Pierre, M., Carteret, C., Maschio, L., André, E., Orlando, R., and Dovesi, R. (2014) The Raman spectrum of CaCO3 polymorphs calcite and aragonite: A combined experimental and computational study. The Journal of Chemical Physics, 140, 164509.10.1063/1.4871900Search in Google Scholar PubMed
Facq, S., Daniel, I., Montagnac, G., Cardon, H., and Sverjensky, D.A. (2014) In situ Raman study and thermodynamic model of aqueous carbonate speciation in equilibrium with aragonite under subduction zone conditions. Geochimica et Cosmochimica Acta, 132, 375–390.10.1016/j.gca.2014.01.030Search in Google Scholar
Facq, S., Daniel, I., Montagnac, G., Cardon, H., and Sverjensky, D.A. (2016) Carbon speciation in saline solutions in equilibrium with aragonite at high pressure. Chemical Geology, 431, 44–53.10.1016/j.chemgeo.2016.03.021Search in Google Scholar
Farfan, G., Wang, S., Ma, H., Caracas, R., and Mao, W.L. (2012) Bonding and structural changes in siderite at high pressure. American Mineralogist, 97, 1421–1426.10.2138/am.2012.4001Search in Google Scholar
Farfan, G.A., Boulard, E., Wang, S., and Mao, W.L. (2013) Bonding and electronic changes in rhodochrosite at high pressure. American Mineralogist, 98, 1817–1823.10.2138/am.2013.4497Search in Google Scholar
Gillet, P., Guyot, F., and Malezieux, J.M. (1989) High-pressure, high-temperature Raman spectroscopy of Ca2GeO4 (olivine form): some insights on anharmonicity. Physics of the Earth and Planetary Interiors, 58, 141–154.10.1016/0031-9201(89)90050-2Search in Google Scholar
Gillet, P., Biellmann, C., Reynard, B., and McMillan, P. (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, 1–18.10.1007/BF00202245Search in Google Scholar
Goncharov, A.F., Zaug, J.M., Crowhurst, J.C., and Gregoryanz, E. (2005) Optical calibration of pressure sensors for high pressures and temperatures. Journal of Applied Physics, 97.10.1063/1.1895467Search in Google Scholar
Grasset, O., Amiguet, E., and Choukroun, M. (2005) Pressure measurements within optical cells using diamond sensors: accuracy of the method below 1 GPa. High Pressure Research, 25, 255–265.10.1080/08957950500466018Search in Google Scholar
Kelemen, P.B., and Manning, C.E. (2015) Reevaluating carbon fluxes in subduction zones, what goes down, mostly comes up. Proceedings of the National Academy of Sciences, 112, E3997–E4006.10.1073/pnas.1507889112Search in Google Scholar PubMed PubMed Central
Kissinger, H.E., McMurdie, H.F., and Simpson, B.S. (1956) Thermal decomposition of manganous and ferrous carbonates. Journal of the American Ceramic Society, 39, 168–172.10.1111/j.1151-2916.1956.tb15639.xSearch in Google Scholar
Klotz, S., Chervin, J.C., Munsch, P., and Le Marchand, G. (2009) Hydrostatic limits of 11 pressure transmitting media. Journal of Physics D: Applied Physics, 42, 75,413.10.1088/0022-3727/42/7/075413Search in 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, 545–561.10.1007/s00269-016-0815-8Search in Google Scholar
Kraft, S., Knittle, E., and Williams, Q. (1991) Carbonate stability in the Earth’s mantle: A vibrational spectroscopic study of aragonite and dolomite at high pressures and temperatures. Journal of Geophysical Research, 96, 17,997–18,009.10.1029/91JB01749Search in Google Scholar
Krishna Rao, K.V., and Satyanaryana Murthy, K. (1970) Thermal expansion of manganese carbonate. Journal of Materials Science, 5, 82–83.10.1007/PL00020257Search in Google Scholar
Krishnamurti, D. (1956) Raman spectrum of magnesite. Proceedings of the Indian Academy of Sciences—Section A, 43, 210–212.10.1007/BF03052736Search in Google Scholar
Krishnamurti, D. (1957) The Raman spectrum of calcite and its interpretation. Proceedings of the Indian Academy of Sciences—Section A, 46, 183–202.10.1007/BF03045968Search in Google Scholar
Langille, D.B., and O’Shea, D.C. (1977) Raman spectroscopy studies of antiferromagnetic FeCO3 and related carbonates. Journal of Physics and Chemistry of Solids, 38, 1161–1171.10.1016/0022-3697(77)90044-0Search in Google Scholar
Letoullec, R., Pinceaux, J.P., and Loubeyre, P. (1988) The membrane diamodn anvil cell: A new device for generating continuous pressure and temperature variations. High Pressure Research, 1, 77–90.10.1080/08957958808202482Search in Google Scholar
Lin, C.C., and Liu, L.G. (1997) High pressure phase transformations in aragonite-type carbonates. Physics and Chemistry of Minerals, 24, 149–157.10.1007/s002690050028Search in 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.Search in Google Scholar
Liu, L.G., Chen, C.C., Lin, C.C., and Yang, Y.J. (2005) Elasticity of single-crystal aragonite by Brillouin spectroscopy. Physics and Chemistry of Minerals, 32, 97–102.10.1007/s00269-005-0454-ySearch in Google Scholar
Liu, J., Caracas, R., Fan, D., Bobocioiu, E., Zhang, D., and Mao, W.L. (2016) High-pressure compressibility and vibrational properties of (Ca,Mn)CO3 American Mineralogist, 101, 2723–2730.10.2138/am-2016-5742Search in Google Scholar
Manning, C.E. (1994) The solubility of quartz in H2O in the lower crust and upper mantle. Geochimica et Cosmochimica Acta, 58, 4831–4839.10.1016/0016-7037(94)90214-3Search in Google Scholar
Manning, C.E. (2014) A piece of the deep carbon puzzle. Nature Geoscience, 7, 333–334.10.1038/ngeo2152Search in Google Scholar
Mao, H.K., Xu, J., and Bell, P.M. (1986) Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions. Journal of Geophysical Research, 91, 4673–4676.10.1029/JB091iB05p04673Search in Google Scholar
Markgraf, S.A., and Reeder, R.J. (1985) High-temperature structure refinements of calcite and magnesite. American Mineralogist, 70, 590–600.Search in Google Scholar
Maruyama, K., Kagi, H., Komatsu, K., Yoshino, T., and Nakano, S. (2017) Pressure-induced phase transitions of vaterite, a metastable phase of CaCO3 Journal of Raman Spectroscopy, 48, 1449–1453.10.1002/jrs.5162Search in Google Scholar
Matas, J., Gillet, P., Ricard, Y., and Martinez, I. (2000) Thermodynamic properties of carbonates at high pressures from vibrational modelling. European Journal of Mineralogy, 12, 703–720.10.1127/ejm/12/4/0703Search in Google Scholar
Mellor, J.W. (1935) A Comprehensive Treatise on Inorganic and Theoretical Chemistry. Vol. XIV: Fe (Part III), Co, 892 p. Longmans.Search in Google Scholar
Minch, R., Seoung, D.H., Ehm, L., Winkler, B., Knorr, K., Peters, L., Borkowski, L.A., Parise, J.B., Lee, Y., Dubrovinsky, L., and others. (2010a) High-pressure behavior of otavite (CdCO3. Journal of Alloys and Compounds, 508, 251–257.10.1016/j.jallcom.2010.08.090Search in Google Scholar
Minch, R., Dubrovinsky, L., Kurnosov, A., Ehm, L., Knorr, K., and Depmeier, W. (2010b) Raman spectroscopic study of PbCO3 at high pressures and temperatures. Physics and Chemistry of Minerals, 37, 45–56.10.1007/s00269-009-0308-0Search in Google Scholar
Müller, J., Speziale, S., Efthimiopoulos, I., Jahn, S., and Koch-Müller, M. (2016) Raman spectroscopy of siderite at high pressure: Evidence for a sharp spin transition. American Mineralogist, 101, 2638–2644.10.2138/am-2016-5708Search in Google Scholar
Oganov, A.R., Hemley, R.J., Hazen, R.M., and Jones, A.P. (2013) Structure, bonding, and mineralogy of carbon at extreme conditions. Reviews in Mineralogy and Geochemistry, 75, 47–77.10.1515/9781501508318-005Search in Google Scholar
Parker, J.E., Thompson, S.P., Lennie, A.R., Potter, J., and Tang, C.C. (2010) A study of the aragonite-calcite transformation using Raman spectroscopy, synchrotron powder diffraction and scanning electron microscopy. CrystEng-Comm, 12, 1590–1599.10.1039/b921487aSearch in Google Scholar
Picard, A., Oger, P.M., Daniel, I., Cardon, H., Montagnac, G., and Chervin, J.C. (2006) A sensitive pressure sensor for diamond anvil cell experiments up to 2 GPa: FluoSpheres®. Journal of Applied Physics, 100, 34915.10.1063/1.2234821Search in 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, 29–43.10.1007/s00269-014-0696-7Search in Google Scholar
Popkov, Yu.A., Eremenko, V.V., Fomin, V.I., and Mokhir, A.P. (1972) Kombinacionnoe rasseyanie sveta v antiferromagnitnom siderite (Raman light scattering in antiferromagnetic siderite). Fizika Tverdogo Tela (Solid State Pysics), 14, 2294–2299.Search in Google Scholar
Ragan, D.D., Gustavsen, R., and Schiferl, D. (1992) Calibration of the ruby R1 and R2 fluorescence shifts as a function of temperature from 0 to 600 K. Journal of Applied Physics, 72, 5539–5544.10.1063/1.351951Search in Google Scholar
Redfern, S.A.T. (2000) Structural variations in carbonates. Reviews in Mineralogy and Geochemistry, 41, 289–308.10.1515/9781501508707-014Search in Google Scholar
Reeder, R.J., and Markgraf, S.A. (1986) High-temperature crystal chemistry of dolomite. American Mineralogist, 7, 795–804.Search in Google Scholar
Rohrbach, A., and Schmidt, M.W. (2011) Redox freezing and melting in the Earth’s deep mantle resulting from carbon-iron redox coupling. Nature, 472, 209–212.10.1038/nature09899Search in Google Scholar PubMed
Ross, N.L., and Reeder, R.J. (1992) High-pressure structural study of dolomite and ankerite. American Mineralogist, 77, 412–421.Search in Google Scholar
Rutt, H.N., and Nicola, J.H. (1974) Raman spectra of carbonates of calcite structure. Journal of Physics C: Solid State Physics, 7, 4522–4528.10.1088/0022-3719/7/24/015Search in Google Scholar
Saloman, E.B., and Sansonetti, C.J. (2004) Wavelengths, energy level classifications, and energy levels for the spectrum of neutral neon. Journal of Physical and Chemical Reference Data, 33, 1113–1158.10.1063/1.1797771Search in Google Scholar
Schiferl, D., Nicol, M., Zaug, J.M., Sharma, S.K., Cooney, T.F., Wang, S.-Y., Anthony, T.R., and Fleischer, J.F. (1997) The diamond 13C/12C isotope Raman pressure sensor system for high-temperature/pressure diamond-anvil cells with reactive samples. Journal of Applied Physics, 82, 3256–3265.10.1063/1.366268Search in Google Scholar
Spivak, A., Solopova, N., Cerantola, V., Bykova, E., Zakharchenko, E., Dubrovinsky, L., and Litvin, Y. (2014) Raman study of MgCO3-FeCO3 carbonate solid solution at high pressures up to 55 GPa. Physics and Chemistry of Minerals, 41, 633–638.10.1007/s00269-014-0676-ySearch in Google Scholar
Tropper, P., and Manning, C.E. (2007) The solubility of corundum in H2O at high pressure and temperature and its implications for Al mobility in the deep crust and upper mantle. Chemical Geology, 240, 54–60.10.1016/j.chemgeo.2007.01.012Search in Google Scholar
Valenzano, L., Noël, Y., Orlando, R., Zicovich-Wilson, C.M., Ferrero, M., and Dovesi, R. (2007) Ab initio vibrational spectra and dielectric properties of carbonates: magnesite, calcite and dolomite. Theoretical Chemistry Accounts, 117, 991–1000.10.1007/s00214-006-0213-2Search in Google Scholar
Wagner, J.M. (2000) On the inadequacy of linear pressure dependence of vibrational frequency. Solid State Communications, 116, 355–356.10.1016/S0038-1098(00)00351-3Search in Google Scholar
Watenphul, A., and Schmidt, C. (2012) Calibration of berlinite (AlPO4 as Raman spectroscopic pressure sensor for diamond-anvil cell experiments at elevated temperatures. Journal of Raman Spectroscopy, 43, 564–570.10.1002/jrs.3062Search in Google Scholar
Williams, Q., Collerson, B., and Knittle, E. (1992) Vibrational spectra of magnesite (MgCO3 and calcite-III at high pressures. American Mineralogist, 77, 1158–1165.Search in Google Scholar
Xu, J., Kuang, Y., Zhang, B., Liu, Y., Fan, D., Zhou, W., and Xie, H. (2015) High-pressure study of azurite Cu3(CO32(OH)2 by synchrotron radiation X‑ray diffraction and Raman spectroscopy. Physics and Chemistry of Minerals, 42, 805–816.10.1007/s00269-015-0764-7Search in Google Scholar
Ye, Y., Smyth, J.R., and Boni, P. (2012) Crystal structure and thermal expansion of aragonite-group carbonates by single-crystal X‑ray diffraction. American Mineralogist, 97, 707–712.10.2138/am.2012.3923Search in Google Scholar
Zhang, J., and Reeder, R.J. (1999) Comparative compressibilities of calcite-structure carbonates: Deviations from empirical relations. American Mineralogist, 84, 861–870.10.2138/am-1999-5-620Search in Google Scholar
© 2018 Walter de Gruyter GmbH, Berlin/Boston
Articles in the same Issue
- Letter
- Rapid solid-state sintering in volcanic systems
- How geometry and anisotropy affect residual strain in host-inclusion systems: Coupling experimental and numerical approaches
- Special collection: Earth analogs for martian geological materials and processes
- Diverse mineral assemblages of acidic alteration in the Rio Tinto area (southwest Spain): Implications for Mars
- Special collection: From magmas to ore deposits
- Archaean hydrothermal fluid modified zircons at Sunrise Dam and Kanowna Belle gold deposits, Western Australia: Implications for post-magmatic fluid activity and ore genesis
- Special collection: Water in nominally hydrous and anhydrous minerals
- New high-pressure phases in MOOH (M = Al, Ga, In)
- Articles
- Nuwaite (Ni6GeS2) and butianite (Ni6SnS2), two new minerals from the Allende meteorite: Alteration products in the early solar system
- The role of magma mixing, identification of mafic magma inputs, and structure of the underlying magmatic system at Mount St. Helens
- Thermodynamic properties of natural melilites
- Thermal conductivity anomaly in spin-crossover ferropericlase under lower mantle conditions and implications for heat flow across the core-mantle boundary
- Electronic properties and compressional behavior of Fe–Si alloys at high pressure
- Diffusion of molybdenum and tungsten in anhydrous and hydrous granitic melts
- High-pressure single-crystal structural analysis of AlSiO3OH phase egg
- Structural variations along the apatite F-OH join
- Raman modes of carbonate minerals as pressure and temperature gauges up to 6 GPa and 500 °C
- Crystallization conditions of micas in oxidized igneous systems
- The role of crustal melting in the formation of rhyolites: Constraints from SIMS oxygen isotope data (Chon Aike Province, Patagonia, Argentina)
- New Mineral Names
- Book Review
Articles in the same Issue
- Letter
- Rapid solid-state sintering in volcanic systems
- How geometry and anisotropy affect residual strain in host-inclusion systems: Coupling experimental and numerical approaches
- Special collection: Earth analogs for martian geological materials and processes
- Diverse mineral assemblages of acidic alteration in the Rio Tinto area (southwest Spain): Implications for Mars
- Special collection: From magmas to ore deposits
- Archaean hydrothermal fluid modified zircons at Sunrise Dam and Kanowna Belle gold deposits, Western Australia: Implications for post-magmatic fluid activity and ore genesis
- Special collection: Water in nominally hydrous and anhydrous minerals
- New high-pressure phases in MOOH (M = Al, Ga, In)
- Articles
- Nuwaite (Ni6GeS2) and butianite (Ni6SnS2), two new minerals from the Allende meteorite: Alteration products in the early solar system
- The role of magma mixing, identification of mafic magma inputs, and structure of the underlying magmatic system at Mount St. Helens
- Thermodynamic properties of natural melilites
- Thermal conductivity anomaly in spin-crossover ferropericlase under lower mantle conditions and implications for heat flow across the core-mantle boundary
- Electronic properties and compressional behavior of Fe–Si alloys at high pressure
- Diffusion of molybdenum and tungsten in anhydrous and hydrous granitic melts
- High-pressure single-crystal structural analysis of AlSiO3OH phase egg
- Structural variations along the apatite F-OH join
- Raman modes of carbonate minerals as pressure and temperature gauges up to 6 GPa and 500 °C
- Crystallization conditions of micas in oxidized igneous systems
- The role of crustal melting in the formation of rhyolites: Constraints from SIMS oxygen isotope data (Chon Aike Province, Patagonia, Argentina)
- New Mineral Names
- Book Review