High-pressure orthorhombic ferromagnesite as a potential deep-mantle carbon carrier

Liu, Jin; Lin, Jung -Fu; Prakapenka, Vitali B.

doi:10.1038/srep07640

Title: High-pressure orthorhombic ferromagnesite as a potential deep-mantle carbon carrier

Journal Article · Tue Jan 06 00:00:00 EST 2015 · Scientific Reports

DOI:https://doi.org/10.1038/srep07640· OSTI ID:1168511

Liu, Jin ^[1]; Lin, Jung -Fu ^[2]; Prakapenka, Vitali B. ^[3]

The Univ. of Texas at Austin, Austin, TX (United States)
The Univ. of Texas at Austin, Austin, TX (United States); Center for High Pressure Science and Technology Advanced Research (HPSTAR), Shanghai (People's Republic of China)
The Univ. of Chicago, Chicago, IL (United States)

In this study, knowledge of the physical and chemical properties of candidate deep-carbon carriers such as ferromagnesite [(Mg,Fe)CO₃] at high pressure and temperature of the deep mantle is necessary for our understanding of deep-carbon storage as well as the global carbon cycle of the planet. Previous studies have reported very different scenarios for the (Mg,Fe)CO₃ system at deep-mantle conditions including the chemical dissociation to (Mg,Fe)O+CO₂, the occurrence of the tetrahedrally-coordinated carbonates based on CO₄ structural units, and various high-pressure phase transitions. Here we have studied the phase stability and compressional behavior of (Mg,Fe)CO₃ carbonates up to relevant lower-mantle conditions of approximately 120 GPa and 2400 K. Our experimental results show that the rhombohedral siderite (Phase I) transforms to an orthorhombic phase (Phase II with Pmm2 space group) at approximately 50 GPa and 1400 K. The structural transition is likely driven by the spin transition of iron accompanied by a volume collapse in the Fe-rich (Mg,Fe)CO₃ phases; the spin transition stabilizes the high-pressure phase II at much lower pressure conditions than its Mg-rich counterpart. It is conceivable that the low-spin ferromagnesite phase II becomes a major deep-carbon carrier at the deeper parts of the lower mantle below 1900 km in depth.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1168511

Journal Information:: Scientific Reports, Vol. 5; ISSN 2045-2322

Publisher:: Nature Publishing GroupCopyright Statement

Country of Publication:: United States

Language:: ENGLISH

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Cited by: 74 works

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References (46)

The Chemistry of Carbon in Aqueous Fluids at Crustal and Upper-Mantle Conditions: Experimental and Theoretical Constraints Manning, C. E.; Shock, E. L.; Sverjensky, D. A. Reviews in Mineralogy and Geochemistry, Vol. 75, Issue 1 https://doi.org/10.2138/rmg.2013.75.5	journal	January 2013
Melting in the Earth's deep upper mantle caused by carbon dioxide Dasgupta, Rajdeep; Hirschmann, Marc M. Nature, Vol. 440, Issue 7084 https://doi.org/10.1038/nature04612	journal	March 2006
Redox freezing and melting in the Earth’s deep mantle resulting from carbon–iron redox coupling Rohrbach, Arno; Schmidt, Max W. Nature, Vol. 472, Issue 7342 https://doi.org/10.1038/nature09899	journal	March 2011
Deep Mantle Cycling of Oceanic Crust: Evidence from Diamonds and Their Mineral Inclusions Walter, M. J.; Kohn, S. C.; Araujo, D. Science, Vol. 334, Issue 6052 https://doi.org/10.1126/science.1209300	journal	September 2011
The impact of carbon on element distribution during core formation Jana, Dipayan; Walker, David Geochimica et Cosmochimica Acta, Vol. 61, Issue 13 https://doi.org/10.1016/S0016-7037(97)00091-4	journal	July 1997
Why Deep Carbon? Hazen, R. M.; Schiffries, C. M. Reviews in Mineralogy and Geochemistry, Vol. 75, Issue 1 https://doi.org/10.2138/rmg.2013.75.1	journal	January 2013
The deep carbon cycle and melting in Earth's interior Dasgupta, Rajdeep; Hirschmann, Marc M. Earth and Planetary Science Letters, Vol. 298, Issue 1-2 https://doi.org/10.1016/j.epsl.2010.06.039	journal	September 2010
Experimental evidence for carbonate stability in the Earth's lower mantle Biellmann, Claudine; Gillet, Philippe; Guyot, Franç¸ois Earth and Planetary Science Letters, Vol. 118, Issue 1-4 https://doi.org/10.1016/0012-821x(93)90157-5	journal	July 1993
Structural refinements of magnesite at very high pressure Fiquet, Guillaume; Guyot, François; Kunz, Martin American Mineralogist, Vol. 87, Issue 8-9 https://doi.org/10.2138/am-2002-8-927	journal	August 2002
Stability of magnesite and its high-pressure form in the lowermost mantle Isshiki, Maiko; Irifune, Tetsuo; Hirose, Kei Nature, Vol. 427, Issue 6969 https://doi.org/10.1038/nature02181	journal	January 2004
Vibrational and elastic properties of ferromagnesite across the electronic spin-pairing transition of iron Lin, J. -F.; Liu, J.; Jacobs, C. American Mineralogist, Vol. 97, Issue 4 https://doi.org/10.2138/am.2012.3961	journal	March 2012
Mantle-wide sequestration of carbon in silicates and the structure of magnesite II Panero, Wendy R.; Kabbes, Jason E. Geophysical Research Letters, Vol. 35, Issue 14 https://doi.org/10.1029/2008GL034442	journal	January 2008
Stability of the MgCO3 structures under lower mantle conditions Skorodumova, N. V. American Mineralogist, Vol. 90, Issue 5-6 https://doi.org/10.2138/am.2005.1685	journal	May 2005
Novel high-pressure structures of MgCO3, CaCO3 and CO2 and their role in Earth's lower mantle Oganov, Artem R.; Ono, Shigeaki; Ma, Yanming Earth and Planetary Science Letters, Vol. 273, Issue 1-2 https://doi.org/10.1016/j.epsl.2008.06.005	journal	August 2008
New host for carbon in the deep Earth Boulard, E.; Gloter, A.; Corgne, A. Proceedings of the National Academy of Sciences, Vol. 108, Issue 13 https://doi.org/10.1073/pnas.1016934108	journal	March 2011
Thermomagnetometry and thermal decomposition of siderite Gallagher, P. K.; Warne, S. St. J. Thermochimica Acta, Vol. 43, Issue 3 https://doi.org/10.1016/0040-6031(81)85183-0	journal	February 1981
Experimental determination of siderite stability at high pressure Tao, R.; Fei, Y.; Zhang, L. American Mineralogist, Vol. 98, Issue 8-9 https://doi.org/10.2138/am.2013.4351	journal	August 2013
The Redox State of Earth's Mantle Frost, Daniel J.; McCammon, Catherine A. Annual Review of Earth and Planetary Sciences, Vol. 36, Issue 1 https://doi.org/10.1146/annurev.earth.36.031207.124322	journal	May 2008
Deep global cycling of carbon constrained by the solidus of anhydrous, carbonated eclogite under upper mantle conditions Dasgupta, Rajdeep; Hirschmann, Marc M.; Withers, Anthony C. Earth and Planetary Science Letters, Vol. 227, Issue 1-2 https://doi.org/10.1016/j.epsl.2004.08.004	journal	October 2004
Iron Partitioning and Density Changes of Pyrolite in Earth’s Lower Mantle Irifune, Tetsuo; Shinmei, Toru; McCammon, Catherine A. Science, Vol. 327, Issue 5962 https://doi.org/10.1126/science.1181443	journal	December 2009
Effects of the Electronic spin Transitions of iron in Lower Mantle Minerals: Implications for deep Mantle Geophysics and Geochemistry: spin Transition in Lower Mantle Lin, Jung-Fu; Speziale, Sergio; Mao, Zhu Reviews of Geophysics, Vol. 51, Issue 2 https://doi.org/10.1002/rog.20010	journal	April 2013
Structure, Bonding, and Mineralogy of Carbon at Extreme Conditions Oganov, A. R.; Hemley, R. J.; Hazen, R. M. Reviews in Mineralogy and Geochemistry, Vol. 75, Issue 1 https://doi.org/10.2138/rmg.2013.75.3	journal	January 2013
Pressure induced magnetic transition in siderite FeCO ₃ studied by x-ray emission spectroscopy Mattila, A.; Pylkkänen, T.; Rueff, J-P Journal of Physics: Condensed Matter, Vol. 19, Issue 38 https://doi.org/10.1088/0953-8984/19/38/386206	journal	August 2007
Thermal equation of state and spin transition of magnesiosiderite at high pressure and temperature Liu, J.; Lin, J. -F.; Mao, Z. American Mineralogist, Vol. 99, Issue 1 https://doi.org/10.2138/am.2014.4553	journal	January 2014
First-principles calculations of the electronic structure and pressure-induced magnetic transition in siderite ${FeCO}_{3}$ Shi, H.; Luo, W.; Johansson, B. Physical Review B, Vol. 78, Issue 15 https://doi.org/10.1103/PhysRevB.78.155119	journal	October 2008
Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides Shannon, R. D. Acta Crystallographica Section A, Vol. 32, Issue 5, p. 751-767 https://doi.org/10.1107/S0567739476001551	journal	September 1976
Principles of Comparative Crystal Chemistry Hazen, R. M.; Downs, R. T.; Prewitt, C. T. Reviews in Mineralogy and Geochemistry, Vol. 41, Issue 1 https://doi.org/10.2138/rmg.2000.41.1	journal	January 2000
Discovery of the recoverable high-pressure iron oxide Fe4O5 Lavina, B.; Dera, P.; Kim, E. Proceedings of the National Academy of Sciences, Vol. 108, Issue 42 https://doi.org/10.1073/pnas.1107573108	journal	October 2011
EXPGUI , a graphical user interface for GSAS Toby, Brian H. Journal of Applied Crystallography, Vol. 34, Issue 2 https://doi.org/10.1107/S0021889801002242	journal	April 2001
Rietveld refinement guidelines McCusker, L. B.; Von Dreele, R. B.; Cox, D. E. Journal of Applied Crystallography, Vol. 32, Issue 1 https://doi.org/10.1107/S0021889898009856	journal	February 1999
Formation of $s p^{3}$ Hybridized Bonds and Stability of ${CaCO}_{3}$ at Very High Pressure Arapan, Sergiu; Souza de Almeida, Jailton; Ahuja, Rajeev Physical Review Letters, Vol. 98, Issue 26 https://doi.org/10.1103/PhysRevLett.98.268501	journal	June 2007
Structures of dolomite at ultrahigh pressure and their influence on the deep carbon cycle Merlini, M.; Crichton, W. A.; Hanfland, M. Proceedings of the National Academy of Sciences, Vol. 109, Issue 34 https://doi.org/10.1073/pnas.1201336109	journal	August 2012
Structure of siderite ${FeCO}_{3}$ to 56 GPa and hysteresis of its spin-pairing transition Lavina, Barbara; Dera, Przemyslaw; Downs, Robert T. Physical Review B, Vol. 82, Issue 6 https://doi.org/10.1103/PhysRevB.82.064110	journal	August 2010
Finite strain isotherm and velocities for single-crystal and polycrystalline NaCl at high pressures and 300°K Birch, Francis Journal of Geophysical Research, Vol. 83, Issue B3, p. 1257-1268 https://doi.org/10.1029/JB083iB03p01257	journal	January 1978
A high-pressure infrared and X-ray study of FeCO3 and MnCO3: comparison with CaMg(CO3)2-dolomite Santillán, J.; Williams, Q. Physics of the Earth and Planetary Interiors, Vol. 143-144 https://doi.org/10.1016/j.pepi.2003.06.007	journal	June 2004
Effects of Mg-Fe (super 2+) substitution in calcite-structure carbonates; thermoelastic properties Zhang, Jianzhong; Martinez, Isabelle; Guyot, Francois American Mineralogist, Vol. 83, Issue 3-4 https://doi.org/10.2138/am-1998-3-411	journal	April 1998
Adiabatic temperature profile in the mantle Katsura, Tomoo; Yoneda, Akira; Yamazaki, Daisuke Physics of the Earth and Planetary Interiors, Vol. 183, Issue 1-2 https://doi.org/10.1016/j.pepi.2010.07.001	journal	November 2010
Mantle-slab interaction and redox mechanism of diamond formation Palyanov, Y. N.; Bataleva, Y. V.; Sokol, A. G. Proceedings of the National Academy of Sciences, Vol. 110, Issue 51 https://doi.org/10.1073/pnas.1313340110	journal	December 2013
Magnesite-bearing inclusion assemblage in natural diamond Wang, Alian; Pasteris, Jill D.; Meyer, Henry O. A. Earth and Planetary Science Letters, Vol. 141, Issue 1-4 https://doi.org/10.1016/0012-821X(96)00053-2	journal	June 1996
Evidence for carbonate in the mantle Berg, G. W. Nature, Vol. 324, Issue 6092 https://doi.org/10.1038/324050a0	journal	November 1986
Ingassing, Storage, and Outgassing of Terrestrial Carbon through Geologic Time Dasgupta, R. Reviews in Mineralogy and Geochemistry, Vol. 75, Issue 1 https://doi.org/10.2138/rmg.2013.75.7	journal	January 2013
The oxidation state of the mantle and the extraction of carbon from Earth’s interior Stagno, Vincenzo; Ojwang, Dickson O.; McCammon, Catherine A. Nature, Vol. 493, Issue 7430 https://doi.org/10.1038/nature11679	journal	January 2013
Toward an internally consistent pressure scale Fei, Y.; Ricolleau, A.; Frank, M. Proceedings of the National Academy of Sciences, Vol. 104, Issue 22 https://doi.org/10.1073/pnas.0609013104	journal	May 2007
Advanced flat top laser heating system for high pressure research at GSECARS: application to the melting behavior of germanium Prakapenka, V. B.; Kubo, A.; Kuznetsov, A. High Pressure Research, Vol. 28, Issue 3 https://doi.org/10.1080/08957950802050718	journal	September 2008
Thermochemical state of the lower mantle: New insights from mineral physics Badro, J.; Fiquet, G.; Guyot, F. Geochimica et Cosmochimica Acta, Vol. 70, Issue 18 https://doi.org/10.1016/j.gca.2006.06.164	journal	August 2006
Evidence for carbonate in the mantle Berg, G. W. Nature, Vol. 327, Issue 6117 https://doi.org/10.1038/327082a0	journal	May 1987

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