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In situ Raman spectroscopic studies of FeS2 pyrite up to 675 K and 2100 MPa using a hydrothermal diamond anvil cell

Published online by Cambridge University Press:  02 January 2018

Xueyin Yuan
Affiliation:
Key Laboratory of Orogenic Belts and Crustal Evolution, Ministry of Education, Peking University, Beijing 100871, China
Haifei Zheng*
Affiliation:
Key Laboratory of Orogenic Belts and Crustal Evolution, Ministry of Education, Peking University, Beijing 100871, China
*

Abstract

Raman scattering experiments of natural FeS2 pyrite were performed at simultaneous high-pressure and high-temperature conditions up to 675 K and 2100 MPa using a hydrothermal diamond anvil cell combined with micro-Raman spectroscopy. Four out of five Raman active modes [Eg, Ag, Tg(1) and Tg(3)] were resolved at ambient conditions, the remaining Tg(2) [∼377 cm–1] mode was weak and unresolved occurring ∼2 cm–1 from the intense Ag [379 cm–1] mode. The frequency shifts of the Eg [343 cm–1] and Ag [379 cm–1] modes were determined to be quadratic functions of pressure and temperature: ν343 = 343.35 – 0.0178 × ΔT – 8.4E – 6 × (ΔT)2 + 0.00367 × Δp 3.7E–7 × (Δp)2 + 1.0E–6 × ΔT × Δp and ν379 = 379.35 – 0.0295 × ΔT – 9.0E–6 × (ΔT)2 + 0.00460 × Δp – 5.3E–7 × (Δp)2 + 7.0E–7 × ΔT × Δp. The positive pressure dependence of both modes indicates stress-induced contraction of S–S and Fe–S bonds, whereas the negative temperature dependence shows temperature-induced expansion of them. The Raman spectra of pyrite were used to derive its bulk modulus at high temperatures, thermal expansion coefficient at high pressures and anharmonic parameters at high-pressure and high-temperature conditions.

Type
Research Article
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 2015

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References

Ahrens, T.J. and Jeanloz, R. (1987) Pyrite: Shock compression, isentropic release, and composition of the Earth’s core. Journal of Geophysical Research: Solid Earth (1978–2012). 92, 10363-10375.CrossRefGoogle Scholar
Bassett, W., Shen, A., Bucknum, M. and Chou, I.M. (1993) A new diamond anvil cell for hydrothermal studies to 2.5 GPa and from –190. to 1200ºC. Review of Scientific Instruments 64, 2340-2345.CrossRefGoogle Scholar
Benbattouche, N., Saunders, G., Lambson, E. and Honle, W. (1989) The dependences of the elastic stiffness moduli and the poisson ratio of natural iron pyrites FeS2 upon pressure and temperature. Journal of Physics D: Applied Physics 22, 670.CrossRefGoogle Scholar
Bindloss, W. (1971) Anomalous exchangestriction in ferromagnetic pyrite and chromium chalcogenide spinel compounds. Journal of Applied Physics 42, 1474.CrossRefGoogle Scholar
Blanchard, M., Alfredsson, M., Brodholt, J., Price, G.D., Wright, K. and Catlow, C.R.A. (2005) Electronic structure study of the high-pressure vibrational spectrum of FeS2 pyrite. The Journal of Physical Chemistry B 109, 22067-22073.CrossRefGoogle ScholarPubMed
Brostigen, G. and Kjekshus, A. (1969) Redetermined crystal structure of FeS2-pyrite. Acta Chemica Scandinavica 23, 2186-2188.CrossRefGoogle Scholar
Chrystall, R. (1965) Thermal expansion of iron pyrites. Transactions of the Faraday Society 61, 1811-1815.CrossRefGoogle Scholar
Datchi, F. and Canny, B. (2004) Raman spectrum of cubic boron nitride at high pressure and temperature. Physical Review B 69, 144106.CrossRefGoogle Scholar
Datchi, F., Dewaele, A., Le Godec, Y. and Loubeyre, P. (2007) Equation of state of cubic boron nitride at high pressures and temperatures. Physical Review B 75, 214104.CrossRefGoogle Scholar
Ellmer, K. and Höpfner, C. (1997) On the stoichiometry of the semiconductor pyrite (FeS2). Philosophical Magazine A 75, 1129-1151.CrossRefGoogle Scholar
Fei, Y. (1995) Thermal expansion. Pp. 29-44. in: Mineral Physics and Crystallography: a Handbook of Physical Constants (T.J. Ahrens, editor). AGU Reference Shelf, Vol. 2. American Geophysical Union, Washington, DC.Google Scholar
Fujii, T., Yoshida, A., Tanaka, K., Marumo, F. and Noda, Y. (1986) High pressure compressibilities of pyrite and cattierite. Mineralogical Journal 13, 202-211.CrossRefGoogle Scholar
Fujimori, H., Komatsu, H., Ioku, K., Goto, S. and Yoshimura, M. (2002) Anharmonic lattice mode of Ca2SiO4: Ultraviolet laser Raman spectroscopy at high temperatures. Physical Review B 66, 064306.CrossRefGoogle Scholar
Gillet, P., Guyot, F. and Malezieux, J.-M. (1989) Highpressure, high-temperature Raman spectroscopy of Ca2GeO4(olivine form): Some insights on anharmonicity. Physics of the Earth and Planetary Interiors 58, 141-154.CrossRefGoogle Scholar
Gillet, P., Le Cléac’h, A. and Madon, M. (1990) Hightemperature raman spectroscopy of SiO2 and GeO2 polymorphs: Anharmonicity and thermodynamic properties at high-temperatures. Journal of Geophysical Research: Solid Earth 95, 21635-21655.CrossRefGoogle Scholar
Gillet, P., Daniel, I., Guyot, F., Matas, J. and Chervin, J.-C. (2000) A thermodynamic model for MgSiO3- perovskite derived from pressure, temperature and volume dependence of the Raman mode frequencies. Physics of the Earth and Planetary Interiors 117, 361-384.CrossRefGoogle Scholar
Hope, G.A., Woods, R. and Munce, C.G. (2001) Raman microprobe mineral identification. Minerals Engineering 14, 1565-1577.CrossRefGoogle Scholar
Kleppe, A. and Jephcoat, A. (2004) High-pressure Raman spectroscopic studies of FeS2 pyrite. Mineralogical Magazine 68, 433-441.CrossRefGoogle Scholar
Lucazeau, G. (2003) Effect of pressure and temperature on Raman spectra of solids: Anharmonicity. Journal of Raman Spectroscopy 34, 478-496.CrossRefGoogle Scholar
Lutz, H. and Willich, P. (1974) Lattice vibration spectra. IX. Pyrite structure. FIR spectra and normal coordinate analysis of MnS2, FeS2 , and NiS2. Zeitschrift für Anorganische und Allgemeine Chemie 405, 176-182.CrossRefGoogle Scholar
Lutz, H. and Zwinscher, J. (1996) Lattice dynamics of pyrite FeS2 – polarizable-ion model. Physics and Chemistry of Minerals 23, 497-502.CrossRefGoogle Scholar
Merkel, S., Jephcoat, A., Shu, J., Mao, H.-K., Gillet, P. and Hemley, R. (2002) Equation of state, elasticity, and shear strength of pyrite under high pressure. Physics and Chemistry of Minerals 29, 1-9.CrossRefGoogle Scholar
Mernagh, T.P. and Trudu, A.G. (1993) A laser Raman microprobe study of some geologically important sulphide minerals. Chemical Geology 103, 113-127.CrossRefGoogle Scholar
Murnaghan, F.D. (1937) Finite deformations of an elastic solid. American Journal of Mathematics 59, 235-260.CrossRefGoogle Scholar
Press, D. (1949) Thermal expansion of fluorspar and iron pyrite. Proceedings Mathematical Sciences 30, 284-294.Google Scholar
Rao, R., Salke, N.P. and Garg, A.B. (2013) Raman spectroscopic study of phase stability and anharmonicity in Bi12TiO20. Materials Chemistry and Physics.CrossRefGoogle Scholar
Schmidt, C. and Ziemann, M.A. (2000) In-situ Raman spectroscopy of quartz: a pressure sensor for hydrothermal diamond-anvil cell experiments at elevated temperatures. American Mineralogist 85, 1725-1734.CrossRefGoogle Scholar
Sourisseau, C., Cavagnat, R. and Fouassier, M. (1991) The vibrational properties and valence force fields of FeS2, RuS2 pyrites and FeS2 marcasite. Journal of Physics and Chemistry of Solids 52, 537-544.CrossRefGoogle Scholar
Ushioda, S. (1972) Raman scattering from phonons in iron pyrite (FeS2). Solid State Communications 10, 307-310.CrossRefGoogle Scholar
Verble, J. and Wallis, R. (1969) Infrared studies of lattice vibrations in iron pyrite. Physical Review 182, 783.CrossRefGoogle Scholar
Vogt, H., Chattopadhyay, T. and Stolz, H. (1983) Complete first-order Raman spectra of the pyrite structure compounds FeS2, MnS2 and SiP2. Journal of Physics and Chemistry of Solids 44, 869-873.CrossRefGoogle Scholar
Whitaker, M.L., Liu, W., Wang, L. and Li, B. (2010) Acoustic velocities and elastic properties of pyrite (FeS2) to 9.6 GPa. Journal of Earth Science 21, 792-800.CrossRefGoogle Scholar