New pressure-induced phase transition to Co2Si-type Fe2P
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Yoichi Nakajima
,
Shunya Araki
Abstract
We found a new phase transition in Fe2P from Co2P-type (C23) to Co2Si-type (C37) structure above 42 ± 2 GPa based on in situ X-ray diffraction experiments. While these two structures have identical crystallographic symmetry, the orthorhombic unit cell is shortened in a-axis but elongated in c-axis, the coordination number of phosphorous increases from nine to 10, and the volume reduces by 2% across the phase transition. The new C37-type Fe2P phase has been found to be stable, at least to 83 GPa at high temperature. The Birch-Murnaghan equation of state for C37 Fe2P was also obtained from pressure-volume data, suggesting that phosphorous contributes to 17% of the observed density deficit of the Earth’s outer core when it includes the maximum 1.8 wt% P as observed in iron meteorites. In addition, since both Fe2S and Ni2Si are also known to have the C37 structure under high pressure, (Fe,Ni)2(S,Si,P) could have wide solid solution and constitute planetary iron cores, although it is not dense enough to be a main constituent of the Earth’s inner core.
Acknowledgments and funding
The authors acknowledge Y. Kuwayama and M. Nishi for help in DAC experiments. XRD measurements were performed at the beamline BL10XU of the RIKEN SPring-8 (proposals no. 2018A1236 and 2019B1253). The authors thank two anonymous reviewers for their constructive comments. This work was supported by the JSPS KAKENHI (grants no. 17H02984, 17K14418, 19K04040, and 16H06285), Japan Science and Technology Agency CREST (no. JPMJCR1861), and the Sumitomo Foundation (grant no. 181120).
References cited
Bazhanova, Z.G., Roizen, V.V., and Oganov, A.R. (2017) High-pressure behavior of the Fe-S system and composition of the Earth’s inner core. Uspekhi Fizicheskih Nauk, 187, 1105–1113.10.3367/UFNe.2017.03.038079Suche in Google Scholar
Birch, F. (1952) Elasticity and constitution of the Earth’s interior. Journal of Geophysical Research, 57, 227–286.10.1029/SP026p0031Suche in Google Scholar
Britvin, S.N., Rudashevsky, N.S., Krivovichev, S.V., Burns, P.C., and Polekhovsky, Y.S. (2002) Allabogdanite, (Fe,Ni)2P, a new mineral from the Onello meteorite: the occurrence and crystal structure. American Mineralogist, 87, 1245–1249.10.2138/am-2002-8-924Suche in Google Scholar
Buchwald, V.F. (1975) Handbook of Iron Meteorites: Their History, Distribution, Composition, and Structure. University of California Press.Suche in Google Scholar
Campbell, A.J., Danielson, L., Righter, K., Seagle, C.T., Wang, Y., and Prakapenka, V.B. (2009) High pressure effects on the iron-iron oxide and nickel-nickel oxide oxygen fugacity buffers. Earth and Planetary Science Letters, 286, 556–564.10.1016/j.epsl.2009.07.022Suche in Google Scholar
Dera, P., Lavina, B., Borkowski, L.A., Prakapenka, V.B., Sutton, S.R., Rivers, M.L., Downs, R.T., Boctor, N.Z., and Prewitt, C.T. (2008) High-pressure polymorphism of Fe2P and its implications for meteorites and Earth’s core. Geophysical Research Letters, 35, 1–6.10.1029/2008GL033867Suche in Google Scholar
Dziewonski, A.M., and Anderson, D.L. (1981) Preliminary Reference Earth Model. Physics of the Earth and Planetary Interiors, 25, 297–356.10.1016/0031-9201(81)90046-7Suche in Google Scholar
Errandonea, D., Santamaría-Perez, D., Vegas, A., Nuss, J., Jansen, M., Rodríguez-Hernandez, P., and Muñoz, A. (2008) Structural stability of Fe5Si3 and Ni2Si studied by high-pressure X-ray diffraction and ab initio total-energy calculations. Physical Review B, 77, 094113.10.1103/PhysRevB.77.094113Suche in Google Scholar
Fei, Y., Li, J., Bertka, C.M., and Prewitt, C.T. (2000) Structure type and bulk modulus of Fe3S, a new iron-sulfur compound. American Mineralogist, 85, 1830–1833.10.2138/am-2000-11-1229Suche in Google Scholar
Fei, Y., Murphy, C., Shibazaki, Y., Shahar, A., and Huang, H. (2016) Thermal equation of state of hcp-iron: Constraint on the density deficit of Earth’s solid inner core. Geophysical Research Letters, 43, 6837–6843.10.1002/2016GL069456Suche in Google Scholar
Fischer, R.A., Campbell, A.J., Reaman, D.M., Miller, N.A., Heinz, D.L., Dera, P., and Prakapenka, V.B. (2013) Phase relations in the Fe-FeSi system at high pressures and temperatures. Earth and Planetary Science Letters, 373, 54–64.10.1016/j.epsl.2013.04.035Suche in Google Scholar
Geller, S., and Wolontis, V.M. (1955) The crystal structure of Co2Si. Acta Crystallographica, 8, 83–87.10.1107/S0365110X55000352Suche in Google Scholar
Haines, J., Léger, J.M., and Schulte, O. (1998) High-pressure isosymmetric phase transition in orthorhombic lead fluoride. Physical Review B, 57, 7551–7555.10.1103/PhysRevB.57.7551Suche in Google Scholar
Hirao, N., Kawaguchi, S.I., Hirose, K., Shimizu, K., Ohtani, E., and Ohishi, Y. (2020) New developments in high-pressure X-ray diffraction beamline for diamond anvil cell at SPring-8. Matter and Radiation at Extremes, 5, 018403.10.1063/1.5126038Suche in Google Scholar
Hirose, K., Labrosse, S., and Hernlund, J. (2013) Composition and state of the core. Annual Review of Earth and Planetary Sciences, 41, 657–691.10.1146/annurev-earth-050212-124007Suche in Google Scholar
Kinoshita, D., Nakajima, Y., Kuwayama, Y., Hirose, K., Iwamoto, A., Ishikawa, D., and Baron, A.Q.R. (2020) Sound velocity of liquid Fe-P at high pressure, Physica status solidi (b), doi: 10.1002/pssb.202000171.10.1002/pssb.202000171Suche in Google Scholar
Kuwayama, Y., Morard, G., Nakajima, Y., Hirose, K., Baron, A.Q.R., Kawaguchi, S.I., Tsuchiya, T., Ishikawa, D., Hirao, N., and Ohishi, Y. (2020) Equation of state of liquid iron under extreme conditions. Physical Review Letters, 124, 165701.10.1103/PhysRevLett.124.165701Suche in Google Scholar PubMed
Lai, X., Zhu, F., Liu, Y., Bi, W., Zhao, J., Alp, E.E., Hu, M.Y., Zhang, D., Tkachev, S., Manghnani, M.H., and others. (2020) Elastic and magnetic properties of Fe3P up to core pressures: phosphorus in the Earth’s core. Earth and Planetary Science Letters, 531, 115974.10.1016/j.epsl.2019.115974Suche in Google Scholar
Li, Y., Vočadlo, L., and Brodholt, J.P. (2018) The elastic properties of hcp-Fe alloys under the conditions of the Earth’s inner core. Earth and Planetary Science Letters, 493, 118–127.10.1016/j.epsl.2018.04.013Suche in Google Scholar
McDonough, W. (2014) Compositional model for the Earth’s core. Treatise on Geochemistry (2nd ed.), 3, 559–577.10.1016/B978-0-08-095975-7.00215-1Suche in Google Scholar
Ozawa, H., Hirose, K., Suzuki, T., Ohishi, Y., and Hirao, N. (2013) Decomposition of Fe3S above 250 GPa. Geophysical Research Letters, 40, 4845–4849.10.1002/grl.50946Suche in Google Scholar
Rundqvist, S. (1960) The structures of Co2P, Ru2P and related phases. Acta Chemica Scandinavica, 14, 1961–1979.10.3891/acta.chem.scand.14-1961Suche in Google Scholar
Sagatov, N.E., Gavryushkin, P.N., Banayev, M.V., Inerbaev, T.M., and Litasov, K.D. (2020) Phase relations in the Fe-P system at high pressures and temperatures from ab initio computations. High Pressure Research, 40, 235–244.10.1080/08957959.2020.1740699Suche in Google Scholar
Seto, Y., Nishio-Hamane, D., Nagai, T., and Sata, N. (2010) Development of a software suite on X-ray diffraction experiments. The Review of High Pressure Science and Technology, 20, 269–276.10.4131/jshpreview.20.269Suche in Google Scholar
Stewart, A.J., and Schmidt, M.W. (2007) Sulfur and phosphorus in the Earth’s core: the Fe-P-S system at 23 GPa. Geophysical Research Letters, 34, L13201.10.1029/2007GL030138Suche in Google Scholar
Tateno, S., Ozawa, H., Hirose, K., Suzuki, T., I-Kawaguchi, S., and Hirao, N. (2019a) Fe2S: the most Fe-rich iron sulfide at the Earth’s inner core pressures. Geophysical Research Letters, 46, 11,944–11,949.10.1029/2019GL085248Suche in Google Scholar
Tateno, S., Komabayashi, T., Hirose, K., Hirao, N., and Ohishi, Y. (2019b) Static compression of B2 KCl to 230 GPa and its P-V-T equation of state. American Mineralogist, 104, 718–723.10.2138/am-2019-6779Suche in Google Scholar
Thompson, S., Komabayashi, T., Breton, H., Suehiro, S., Glazyrin, K., Pakhomova, A., and Ohishi, Y. (2020) Compression experiments to 126 GPa and 2500 K and thermal equation of state of Fe3S: Implications for sulphur in the Earth’s core. Earth and Planetary Science Letters, 534, 116080.10.1016/j.epsl.2020.116080Suche in Google Scholar
Wasson, J.T., and Kallemeyn, G.W. (1988) Compositions of chondrites. Philosophical Transactions of the Royal Society of London, Series A, Mathematical and Physical Sciences, 325, 535–544.Suche in Google Scholar
Wu, X., and Qin, S. (2010) First-principles calculations of the structural stability of Fe2P. Journal of Physics: Conference Series, 215, 012110.10.1088/1742-6596/215/1/012110Suche in Google Scholar
Zaitsev, A.I. (1995) Thermodynamic properties and phase equilibria in the Fe-P system. Journal of the Chemical Society, Faraday Transactions, 91, 703–712.10.1039/FT9959100703Suche in Google Scholar
Zhao, Z., Liu, L., Zhang, S., Yu, T., Li, F., and Yang, G. (2017) Phase diagram, stability and electronic properties of an Fe–P system under high pressure: a first principles study. RSC Advances, 7, 15,986–15,991.10.1039/C7RA01567DSuche in Google Scholar
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- Crystal chemistry and microfeatures of gadolinite imprinted by pegmatite formation and alteration evolution
- A new occurrence of corundum in eucrite and its significance
- Zircon survival in shallow asthenosphere and deep lithosphere
- Reconsidering initial Pb in titanite in the context of in situ dating
- Solubility of Na2SO4 in silica-saturated solutions: Implications for REE mineralization
- Vanadium micro-XANES determination of oxygen fugacity in olivine-hosted glass inclusion and groundmass glasses of martian primitive shergottite Yamato 980459
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- Magmatic haggertyite in olivine lamproites of the West Kimberley region, Western Australia
- Trace elements in sulfides from the Maozu Pb-Zn deposit, Yunnan Province, China: Implications for trace-element incorporation mechanisms and ore genesis
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