A new hydrous iron oxide phase stable at mid-mantle pressures

Chen, Huawei; Xie, Sheng-Yi; Ko, Byeongkwan; Kim, Taehyun; Nisr, Carole; Prakapenka, Vitali; Greenberg, Eran; Zhang, Dongzhou; Bi, Wenli; Ercan, Alp E.; Lee, Yongjae; Shim, Sang-Heon

doi:10.1016/j.epsl.2020.116551

A new hydrous iron oxide phase stable at mid-mantle pressures

Journal Article · Thu Sep 03 00:00:00 EDT 2020 · Earth and Planetary Science Letters

DOI:https://doi.org/10.1016/j.epsl.2020.116551· OSTI ID:1864759

^[1]; Xie, Sheng-Yi ^[2]; Ko, Byeongkwan ^[3]; ^[4]; ^[3]; Prakapenka, Vitali ^[5]; Greenberg, Eran ^[5]; ^[5]; Bi, Wenli ^[6]; Ercan, Alp E. ^[6]; Lee, Yongjae ^[4]; ^[3]

China Univ. of Geosciences, Hubei (China); Arizona State Univ., Tempe, AZ (United States)
Hunan Univ. (China)
Arizona State Univ., Tempe, AZ (United States)
Yonsei Univ., Seoul (South Korea)
Univ. of Chicago, IL (United States)
Argonne National Lab. (ANL), Argonne, IL (United States)

The amount of hydrogen stored in the Earth's interior is important for a range of issues, including the volatile incorporation during the Earth formation and the co-evolution of the atmosphere, the hydrosphere, and the interior. Recent experiments found titanium bearing ε-FeOOH in a hydrous basaltic system at 12–19 GPa and 1300 K. Pyrite-type FeOOH was found to be stable at pressures higher than 80 GPa. These discoveries suggest possible hydrogen storage in the mantle transition zone and in the mantle below 1800 km depths, respectively. However, it remains uncertain how the potential deep hydrogen storage can be connected to the shallower storage. Here, we report a new hydrous iron oxide (η-Fe₁₂O_18+x/₂H_x, x ≈ 2) stable at pressures between the stability fields of the ε- and the pyrite-type FeOOH. Our experiment also shows that the new η phase can exist together with the major lower mantle minerals including bridgmanite and periclase, making it an important hydrogen-bearing phase in the Earth's deep interior. Because of its limited H₂O storage capacity, which is less than 1/6 of the storage capacity of the pyrite-type phase and the ε phase, the stability of the η phase would result in H₂O loss during water transport in the mid mantle and therefore limit the amount of H₂O potentially stored in the Fe–O–H system of the lower mantle. As a result, the large channel in the crystal structure of the η phase could provide potential storage sites for other volatile elements in the deep mantle.

View Accepted Manuscript (DOE)

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

Sponsoring Organization:: NASA; National Science Foundation (NSF), Directorate for Geosciences Division of Earth Sciences (GEO/EAR); USDOE; W.M. Keck Foundation

Grant/Contract Number:: AC02-06CH11357; FG02-94ER14466

OSTI ID:: 1864759

Alternate ID(s):: OSTI ID: 1657647

Journal Information:: Earth and Planetary Science Letters, Journal Name: Earth and Planetary Science Letters Vol. 550; ISSN 0012-821X

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

References (57)

Stability of hydrous phase H MgSiO ₄ H ₂ under lower mantle conditions Ohtani, Eiji; Amaike, Yohei; Kamada, Seiji Geophysical Research Letters, Vol. 41, Issue 23 https://doi.org/10.1002/2014GL061690	journal	December 2014
Dry (Mg,Fe)SiO ₃ perovskite in the Earth's lower mantle Panero, Wendy R.; Pigott, Jeffrey S.; Reaman, Daniel M. Journal of Geophysical Research: Solid Earth, Vol. 120, Issue 2 https://doi.org/10.1002/2014JB011397	journal	February 2015
Sound velocities of δ‐AlOOH up to core‐mantle boundary pressures with implications for the seismic anomalies in the deep mantle Mashino, Izumi; Murakami, Motohiko; Ohtani, Eiji Journal of Geophysical Research: Solid Earth, Vol. 121, Issue 2 https://doi.org/10.1002/2015JB012477	journal	February 2016
Intercomparison of the gold, platinum, and MgO pressure scales up to 140 GPa and 2500 K: EQUATIONS OF STATE OF AU, PT, AND MGO Ye, Y.; Prakapenka, V.; Meng, Y. Journal of Geophysical Research: Solid Earth, Vol. 122, Issue 5 https://doi.org/10.1002/2016JB013811	journal	May 2017
A new hydrous phase δ-AlOOH synthesized at 21 GPa and 1000 °C Suzuki, A.; Ohtani, E.; Kamada, T. Physics and Chemistry of Minerals, Vol. 27, Issue 10 https://doi.org/10.1007/s002690000120	journal	December 2000
Solubility of water in the α, β and γ phases of (Mg,Fe) 2 SiO 4 Kohlstedt, D. L.; Keppler, H.; Rubie, D. C. Contributions to Mineralogy and Petrology, Vol. 123, Issue 4 https://doi.org/10.1007/s004100050161	journal	May 1996
The concentration, behavior and storage of H2O in the suboceanic upper mantle: Implications for mantle metasomatism Michael, Peter J. Geochimica et Cosmochimica Acta, Vol. 52, Issue 2 https://doi.org/10.1016/0016-7037(88)90110-X	journal	February 1988
Symmetrization driven spin transition in ε-FeOOH at high pressure Gleason, A. E.; Quiroga, C. E.; Suzuki, A. Earth and Planetary Science Letters, Vol. 379 https://doi.org/10.1016/j.epsl.2013.08.012	journal	October 2013
Stability of a hydrous δ-phase, AlOOH–MgSiO2(OH)2, and a mechanism for water transport into the base of lower mantle Ohira, Itaru; Ohtani, Eiji; Sakai, Takeshi Earth and Planetary Science Letters, Vol. 401 https://doi.org/10.1016/j.epsl.2014.05.059	journal	September 2014
Stability of Fe-bearing hydrous phases and element partitioning in the system MgO–Al2O3–Fe2O3–SiO2–H2O in Earth's lowermost mantle Yuan, Hongsheng; Zhang, Li; Ohtani, Eiji Earth and Planetary Science Letters, Vol. 524 https://doi.org/10.1016/j.epsl.2019.115714	journal	October 2019
Phase transitions of serpentine in the lower mantle Nishi, M.; Irifune, T.; Gréaux, S. Physics of the Earth and Planetary Interiors, Vol. 245 https://doi.org/10.1016/j.pepi.2015.05.007	journal	August 2015
Probing the Release and Uptake of Water in α-MnO ₂ · x H ₂ O Yang, Zhenzhen; Ford, Denise C.; Park, Joong Sun Chemistry of Materials, Vol. 29, Issue 4 https://doi.org/10.1021/acs.chemmater.6b03721	journal	February 2017
The O–O Bonding and Hydrogen Storage in the Pyrite-type PtO ₂ Chen, Huawei; Zhou, Shuxiang; Morgan, Dane Inorganic Chemistry, Vol. 58, Issue 13 https://doi.org/10.1021/acs.inorgchem.9b00046	journal	June 2019
When Density Functional Approximations Meet Iron Oxides Meng, Yu; Liu, Xing-Wu; Huo, Chun-Fang Journal of Chemical Theory and Computation, Vol. 12, Issue 10 https://doi.org/10.1021/acs.jctc.6b00640	journal	September 2016
High-Pressure Evolution of Crystal Bonding Structures and Properties of FeOOH Lu, Cheng; Chen, Changfeng The Journal of Physical Chemistry Letters, Vol. 9, Issue 9 https://doi.org/10.1021/acs.jpclett.8b00947	journal	April 2018
CONUSS and PHOENIX: Evaluation of nuclear resonant scattering data Sturhahn, W. Hyperfine Interactions, Vol. 125, Issue 1/4, p. 149-172 https://doi.org/10.1023/A:1012681503686	journal	March 2000
Pressure dependence of H solubility in magnesiowüstite up to 25 GPa: Implications for the storage of water in the Earth's lower mantle: PRESSURE DEPENDENCE OF H SOLUBILITY IN MAGNESIOWÜSTITE Bolfan-Casanova, N.; Mackwell, S.; Keppler, H. Geophysical Research Letters, Vol. 29, Issue 10 https://doi.org/10.1029/2001GL014457	journal	May 2002
Post-perovskite phase transition and mineral chemistry in the pyrolitic lowermost mantle Murakami, Motohiko Geophysical Research Letters, Vol. 32, Issue 3 https://doi.org/10.1029/2004GL021956	journal	January 2005
Aluminous hydrous mineral δ -AlOOH as a carrier of hydrogen into the core-mantle boundary Sano, Asami; Ohtani, Eiji; Kondo, Tadashi Geophysical Research Letters, Vol. 35, Issue 3 https://doi.org/10.1029/2007GL031718	journal	January 2008
Aqueous Fluid Connectivity in Subducting Oceanic Crust at the Mantle Transition Zone Conditions Liu, Xingcheng; Matsukage, Kyoko N.; Li, Yuan Journal of Geophysical Research: Solid Earth, Vol. 123, Issue 8 https://doi.org/10.1029/2018JB015973	journal	August 2018
Solid Solution and Compression Behavior of Hydroxides in the Lower Mantle Nishi, M.; Tsuchiya, J.; Kuwayama, Y. Journal of Geophysical Research: Solid Earth, Vol. 124, Issue 10 https://doi.org/10.1029/2019JB018146	journal	October 2019
Stability limits of hydrous minerals in sediment and mid-ocean ridge basalt compositions: Implications for water transport in subduction zones Ono, Shigeaki Journal of Geophysical Research: Solid Earth, Vol. 103, Issue B8 https://doi.org/10.1029/98JB01351	journal	August 1998
Hydrous mantle transition zone indicated by ringwoodite included within diamond Pearson, D. G.; Brenker, F. E.; Nestola, F. Nature, Vol. 507, Issue 7491 https://doi.org/10.1038/nature13080	journal	March 2014
FeO2 and FeOOH under deep lower-mantle conditions and Earth’s oxygen–hydrogen cycles Hu, Qingyang; Kim, Duck Young; Yang, Wenge Nature, Vol. 534, Issue 7606 https://doi.org/10.1038/nature18018	journal	June 2016
The pyrite-type high-pressure form of FeOOH Nishi, Masayuki; Kuwayama, Yasuhiro; Tsuchiya, Jun Nature, Vol. 547, Issue 7662 https://doi.org/10.1038/nature22823	journal	July 2017
Hydrogen-bearing iron peroxide and the origin of ultralow-velocity zones Liu, Jin; Hu, Qingyang; Young Kim, Duck Nature, Vol. 551, Issue 7681 https://doi.org/10.1038/nature24461	journal	November 2017
Structural complexity of simple Fe2O3 at high pressures and temperatures Bykova, E.; Dubrovinsky, L.; Dubrovinskaia, N. Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms10661	journal	February 2016
Stability of hydrous silicate at high pressures and water transport to the deep lower mantle Nishi, M.; Irifune, T.; Tsuchiya, J. Nature Geoscience, Vol. 7, Issue 3 https://doi.org/10.1038/ngeo2074	journal	February 2014
Lower-mantle water reservoir implied by the extreme stability of a hydrous aluminosilicate Pamato, Martha G.; Myhill, Robert; Boffa Ballaran, Tiziana Nature Geoscience, Vol. 8, Issue 1 https://doi.org/10.1038/ngeo2306	journal	December 2014
Thermal expansivity, bulk modulus, and melting curve of H ₂ O–ice VII to 20 GPa Fei, Yingwei; Mao, Ho‐kwang; Hemley, Russell J. The Journal of Chemical Physics, Vol. 99, Issue 7 https://doi.org/10.1063/1.465980	journal	October 1993
Electronic and magnetic structures of the postperovskite-type Fe2O3 and implications for planetary magnetic records and deep interiors Shim, S. -H.; Bengtson, A.; Morgan, D. Proceedings of the National Academy of Sciences, Vol. 106, Issue 14 https://doi.org/10.1073/pnas.0808549106	journal	March 2009
Dehydrogenation of goethite in Earth’s deep lower mantle Hu, Qingyang; Kim, Duck Young; Liu, Jin Proceedings of the National Academy of Sciences, Vol. 114, Issue 7 https://doi.org/10.1073/pnas.1620644114	journal	January 2017
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
Novel high pressure monoclinic Fe ₂ O ₃ polymorph revealed by single-crystal synchrotron X-ray diffraction studies Bykova, Elena; Bykov, Maxim; Prakapenka, Vitali High Pressure Research, Vol. 33, Issue 3 https://doi.org/10.1080/08957959.2013.833613	journal	August 2013
DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration Prescher, Clemens; Prakapenka, Vitali B. High Pressure Research, Vol. 35, Issue 3 https://doi.org/10.1080/08957959.2015.1059835	journal	May 2015
Computational searches for iron oxides at high pressures Weerasinghe, Gihan L.; Pickard, Chris J.; Needs, R. J. Journal of Physics: Condensed Matter, Vol. 27, Issue 45 https://doi.org/10.1088/0953-8984/27/45/455501	journal	October 2015
The Composition and Evolution of Lithospheric Mantle: a Re-evaluation and its Tectonic Implications Griffin, W. L.; O'Reilly, S. Y.; Afonso, J. C. Journal of Petrology, Vol. 50, Issue 7 https://doi.org/10.1093/petrology/egn033	journal	July 2008
Inhomogeneous Electron Gas Hohenberg, P.; Kohn, W. Physical Review, Vol. 136, Issue 3B, p. B864-B871 https://doi.org/10.1103/PhysRev.136.B864	journal	November 1964
Self-Consistent Equations Including Exchange and Correlation Effects Kohn, W.; Sham, L. J. Physical Review, Vol. 140, Issue 4A, p. A1133-A1138 https://doi.org/10.1103/PhysRev.140.A1133	journal	November 1965
Projector augmented-wave method Blöchl, P. E. Physical Review B, Vol. 50, Issue 24, p. 17953-17979 https://doi.org/10.1103/PhysRevB.50.17953	journal	December 1994
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set Kresse, G.; Furthmüller, J. Physical Review B, Vol. 54, Issue 16, p. 11169-11186 https://doi.org/10.1103/PhysRevB.54.11169	journal	October 1996
Equation of state of ice VII up to 106 GPa Wolanin, E.; Pruzan, Ph.; Chervin, J. C. Physical Review B, Vol. 56, Issue 10 https://doi.org/10.1103/PhysRevB.56.5781	journal	September 1997
Generalized Gradient Approximation Made Simple Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868 https://doi.org/10.1103/PhysRevLett.77.3865	journal	October 1996
FOX , `free objects for crystallography': a modular approach to ab initio structure determination from powder diffraction Favre-Nicolin, Vincent; Černý, Radovan Journal of Applied Crystallography, Vol. 35, Issue 6 https://doi.org/10.1107/S0021889802015236	journal	November 2002
SUPERFLIP – a computer program for the solution of crystal structures by charge flipping in arbitrary dimensions Palatinus, Lukáš; Chapuis, Gervais Journal of Applied Crystallography, Vol. 40, Issue 4 https://doi.org/10.1107/S0021889807029238	journal	July 2007
GSAS-II : the genesis of a modern open-source all purpose crystallography software package Toby, Brian H.; Von Dreele, Robert B. Journal of Applied Crystallography, Vol. 46, Issue 2 https://doi.org/10.1107/S0021889813003531	journal	March 2013
Combined method for ab initio structure solution from powder diffraction data Putz, H.; Schön, J. C.; Jansen, M. Journal of Applied Crystallography, Vol. 32, Issue 5 https://doi.org/10.1107/S0021889899006615	journal	October 1999
Thermodynamic parameters in the Earth as determined from seismic profiles Brown, J. M.; Shankland, T. J. Geophysical Journal International, Vol. 66, Issue 3 https://doi.org/10.1111/j.1365-246X.1981.tb04891.x	journal	September 1981
Fluid Processes in Subduction Zones Peacock, S. A. Science, Vol. 248, Issue 4953 https://doi.org/10.1126/science.248.4953.329	journal	April 1990
Growth of single crystals of the high-pressure ɛ-FeOOH phase Dyuzheva, T. I.; Lityagina, L. M.; Nikolaev, N. A. Crystallography Reports, Vol. 51, Issue 2 https://doi.org/10.1134/S1063774506020234	journal	March 2006
WATER, MELTING, AND THE DEEP EARTH H ₂ O CYCLE Hirschmann, Marc M. Annual Review of Earth and Planetary Sciences, Vol. 34, Issue 1 https://doi.org/10.1146/annurev.earth.34.031405.125211	journal	May 2006
Visualization and analysis of crystal structures using CrystalMaker software Palmer, David C. Zeitschrift für Kristallographie - Crystalline Materials, Vol. 230, Issue 9-10 https://doi.org/10.1515/zkri-2015-1869	journal	January 2015
Crystal structure of CaMg ₂ Al ₆ O ₁₂ , a new Al-rich high pressure form Miura, Hiroyuki; Hamada, Yoichi; Suzuki, Toshihiro American Mineralogist, Vol. 85, Issue 11-12 https://doi.org/10.2138/am-2000-11-1223	journal	November 2000
Iron-titanium oxyhydroxides as water carriers in the Earth’s deep mantle Nishihara, Yu; Matsukage, Kyoko N. American Mineralogist, Vol. 101, Issue 4 https://doi.org/10.2138/am-2016-5517	journal	April 2016
Pressure-temperature stability studies of FeOOH using X-ray diffraction Gleason, A. E.; Jeanloz, R.; Kunz, M. American Mineralogist, Vol. 93, Issue 11-12 https://doi.org/10.2138/am.2008.2942	journal	November 2008
High-pressure ammonium-bearing silicates: Implications for nitrogen and hydrogen storage in the Earth's mantle Watenphul, A.; Wunder, B.; Heinrich, W. American Mineralogist, Vol. 94, Issue 2-3 https://doi.org/10.2138/am.2009.2995	journal	February 2009
High Pressure Single Crystal Diffraction at PX^2 Zhang, Dongzhou; Dera, Przemyslaw K.; Eng, Peter J. Journal of Visualized Experiments, Issue 119 https://doi.org/10.3791/54660-v	journal	January 2017

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A new hydrous iron oxide phase stable at mid-mantle pressures

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