Skip to main content

Advertisement

SpringerLink
Log in

Compressional behavior of end-member and aluminous iron-bearing diopside at high pressure from single-crystal X-ray diffraction and first principles calculations

  • Original Paper
  • Published:
Physics and Chemistry of Minerals Aims and scope Submit manuscript

Abstract

Diopside (\(CaMgSi_{2}O_{6}\)), the Ca- and Mg-rich clinopyroxene is an important mineral in the Earth’s upper mantle and subducted lithospheric plate. Here, we report the results of high-pressure single-crystal X-ray diffraction experiments conducted on a natural aluminous iron-bearing diopside and a natural, nearly end-member diopside, up to 50 GPa in diamond anvil cell. Density functional theory calculation results on end-member diopside are also reported. Unit cell parameters a, b, c, \(\beta\), V, as well as bond lengths of diopside are reported and compared with other clinopyroxenes. Bulk modulus and its pressure derivative of the two diopside samples are determined using third-order Birch–Murnaghan equation of state. The density of the two diopside samples is calculated under cold subducting slab conditions and is compared with the seismic models. Along the cold slab geotherm, aluminous iron-bearing diopside has higher density than end-member diopside. In the upper mantle, eclogite with aluminous iron-bearing diopside is denser than eclogite with end-member diopside, and, therefore, provides larger slab pulling force. At the bottom of the transition zone and the top of the lower mantle, eclogite with aluminous iron-bearing diopside, though higher in density than the end-member diopside, is still less dense than the surrounding mantle and could contribute to the slab stagnation.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Log in via an institution

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Institutional subscriptions

Fig. 1
Fig. 2
Fig. 3
Fig. 4
Fig. 5
Fig. 6

Similar content being viewed by others

References

  • Akaogi M, Yano M, Tejima Y, Iijima M, Kojitani H (2004) High-pressure transitions of diopside and wollastonite: phase equilibria and thermochemistry of \(\text{ CaMgSi}_{{2}}\text{O}_{{6}}\), \(\text{ CaSiO}_{{3}}\) and \(\text{ CaSi}_{{2}}\text{O}_{{5}}\)-\(\text{CaTiSiO}_{{5}}\) system. Phys Earth Planet Inter 143–144:145–156

    Google Scholar 

  • Anderson DL, Bass JD (1984) Mineralogy and composition of the upper mantle. Geophys Res Lett 11(7):637–640

    Google Scholar 

  • Asahara Y, Ohtani E, Kondo T, Kubo T, Miyajima N, Nagase T, Fujino K, Yagi T, Kikegawa T (2005) Formation of metastable cubic-perovskite in high-pressure phase transformation of ca (mg, fe, al) \(\text{ Ca(Mg, Fe, Al)Si}_{{2}}\text{O}_{{6}}\). Am Mineral 90(2–3):457–462

    Google Scholar 

  • Bass JD, Anderson DL (1984) Composition of the upper mantle: geophysical tests of two petrological models. Geophys Res Lett 11(3):229–232

    Google Scholar 

  • Blöchl PE (1994) Projector augmented-wave method. Phys Rev B 50(24):17953

    Google Scholar 

  • Cameron M, Papike J (1981) Structural and chemical variations in pyroxenes. Am Mineral 66(1–2):1–50

    Google Scholar 

  • Canil D (1994) Stability of clinopyroxene at pressure-temperature conditions of the transition region. Phys Earth Planet Inter 86(1):25–34

    Google Scholar 

  • Dera P, Finkelstein G, Duffy T, Downs R, Meng Y, Prakapenka V, Tkachev S (2013a) Metastable high-pressure transformations of orthoferrosilite \(\text{Fs}_{{82}}\). Phys Earth Planet Inter 221:15–21

    Google Scholar 

  • Dera P, Zhuravlev K, Prakapenka V, Rivers M, Finkelstein G, Grubor-Urosevic O, Tschauner O, Clark S, Downs R (2013b) High pressure single-crystal micro X-ray diffraction analysis with GSE_ADA/RSV software. High Press Res 33(3):466–484

    Google Scholar 

  • Dewaele A, Datchi F, Loubeyre P, Mezouar M (2008) High pressure-high temperature equations of state of neon and diamond. Phys Rev B 77(9):094106

    Google Scholar 

  • Faccenda M, Dal Zilio L (2017) The role of solid-solid phase transitions in mantle convection. Lithos 268:198–224

    Google Scholar 

  • Flemming RL, Terskikh V, Ye E (2015) Aluminum environments in synthetic Ca-tschermak clinopyroxene (CaAlAlSiO6) from rietveld refinement, 27Al NMR, and first-principles calculations. Am Mineral 100(10):2219–2230

    Google Scholar 

  • Frost DJ (2008) The upper mantle and transition zone. Elements 4(3):171–176

    Google Scholar 

  • Fukao Y, Obayashi M (2013) Subducted slabs stagnant above, penetrating through, and trapped below the 660 km discontinuity. J Geophys Res 118(11):5920–5938

    Google Scholar 

  • Fukao Y, Obayashi M, Nakakuki T, Group DSP (2009) Stagnant slab: a review. Ann Rev Earth Planet Sci 37:19–46

    Google Scholar 

  • Ganguly J, Freed AM, Saxena SK (2009) Density profiles of oceanic slabs and surrounding mantle: Integrated thermodynamic and thermal modeling, and implications for the fate of slabs at the 660 km discontinuity. Phys Earth Planet Inter 172(3):257–267

    Google Scholar 

  • Green E, Holland T, Powell R (2007) An order-disorder model for omphacitic pyroxenes in the system jadeite-diopside-hedenbergite-acmite, with applications to eclogitic rocks. Am Mineral 92(7):1181–1189

    Google Scholar 

  • Grossman L, Larimer JW (1974) Early chemical history of the solar system. Rev Geophys 12(1):71–101

    Google Scholar 

  • Hazen RM, Downs RT (2000) High-temperature and high-pressure crystal chemistry, Reviews in mineralogy and geochemistry, vol 41. Mineralogical Society of America, Blacksburg

    Google Scholar 

  • Hu Y, Dera P, Zhuravlev K (2015) Single-crystal diffraction and Raman spectroscopy of hedenbergite up to 33 GPa. Phys Chem Miner 42(7):595–608

    Google Scholar 

  • Hu Y, Kiefer B, Bina CR, Zhang D, Dera PK (2017) High-pressure \(\gamma\)-CaMgSi2O6: Does penta-coordinated silicon exist in the earth’s mantle? Geophys Res Lett 44(22):11–340

    Google Scholar 

  • Hu Y, Wu Z, Dera PK, Bina CR (2016) Thermodynamic and elastic properties of pyrope at high pressure and high temperature by first-principles calculations. J Geophys Res 121(9):6462–6476

    Google Scholar 

  • Irifune T, Miyashita M, Inoue T, Ando J, Funakoshi K, Utsumi W (2000) High-pressure phase transformation in \(\text{ CaMgSi}_{{2}}\text{O}_{{6}}\) and implications for origin of ultra-deep diamond inclusions. Geophys Res Lett 27(21):3541–3544

    Google Scholar 

  • Ita J, Stixrude L (1992) Petrology, elasticity, and composition of the mantle transition zone. J Geophys Res 97(B5):6849–6866

    Google Scholar 

  • James G, Witten D, Hastie T, Tibshirani R (2013) An introduction to statistical learning, vol 112. Springer, Berlin

    Google Scholar 

  • Kandelin J, Weidner DJ (1988) Elastic properties of hedenbergite. J Geophys Res 93(B2):1063–1072

    Google Scholar 

  • Kim Y-H, Ming LC, Manghnani MH (1994) High-pressure phase transformations in a natural crystalline diopside and a synthetic \(\text{CaMgSi}_{{2}}\text{O}_{{6}}\) glass. Phys Earth Planet Inter 83(1):67–79

    Google Scholar 

  • King S, Frost D, Rubie D (2015) Why cold slabs stagnate in the transition zone. Geology 43(3):231–234

    Google Scholar 

  • Kresse G, Furthmüller J (1996a) Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Comput Mater Sci 6(1):15–50

    Google Scholar 

  • Kresse G, Furthmüller J (1996b) Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Phys Rev B 54(16):11169

    Google Scholar 

  • Li B, Neuville D (2010) Elasticity of diopside to 8 GPa and 1073 K and implications for the upper mantle. Phys Earth Planet Inter 183(34):398–403

    Google Scholar 

  • Liu L-G (1979) The system enstatite-wollastonite at high pressures and temperatures, with emphasis on diopside. Phys Earth Planet Inter 19(3):P15–P18

    Google Scholar 

  • Mao H, Xu J, Bell P (1986) Calibration of the ruby pressure gauge to 800 kbar under quasi-hydrostatic conditions. J Geophys Res 91(B5):4673–4676

    Google Scholar 

  • Momma K, Izumi F (2011) Vesta 3 for three-dimensional visualization of crystal, volumetric and morphology data. J Appl Crystallogr 44(6):1272–1276

    Google Scholar 

  • Nishi M, Kato T, Kubo T, Kikegawa T (2008) Survival of pyropic garnet in subducting plates. Phys Earth Planet Inter 170(3–4):274–280

    Google Scholar 

  • Nishi M, Kubo T, Kato T, Tominaga A, Funakoshi K-I, Higo Y (2011) Exsolution kinetics of majoritic garnet from clinopyroxene in subducting oceanic crust. Phys Earth Planet Inter 189(1):47–55

    Google Scholar 

  • Nishi M, Kubo T, Ohfuji H, Kato T, Nishihara Y, Irifune T (2013) Slow Si-Al interdiffusion in garnet and stagnation of subducting slabs. Earth Planet Sci Lett 361:44–49

    Google Scholar 

  • Oguri K, Funamori N, Sakai F, Kondo T, Uchida T, Yagi T (1997) High-pressure and high-temperature phase relations in diopside \(\text{CaMgSi}_{{2}}\text{O}_{{6}}\). Phys Earth Planet Inter 104:363–370

    Google Scholar 

  • Pedregosa F, Varoquaux G, Gramfort A, Michel V, Thirion B, Grisel O, Blondel M, Prettenhofer P, Weiss R, Dubourg V, Vanderplas J, Passos A, Cournapeau D, Brucher M, Perrot M, Duchesnay E (2011) Scikit-learn: machine learning in python. J Mach Learn Res 12:2825–2830

    Google Scholar 

  • Perdew JP, Zunger A (1981) Self-interaction correction to density-functional approximations for many-electron systems. Phys Rev B 23(10):5048

    Google Scholar 

  • Plank T, Langmuir CH (1998) The chemical composition of subducting sediment and its consequences for the crust and mantle. Chem Geol 145(3):325–394

    Google Scholar 

  • Plonka A, Dera P, Irmen P, Rivers M, Ehm L, Parise J (2012) \(\beta\)-diopside, a new ultrahigh-pressure polymorph of \(\text{CaMgSi}_{{2}}\text{O}_{{6}}\) with six-coordinated silicon. Geophys Res Lett 39(24)

  • Poli S (1993) The amphibolite-eclogite transformation; an experimental study on basalt. Am J Sci 293(10):1061–1107

    Google Scholar 

  • Poli S, Schmidt MW (2002) Petrology of subducted slabs. Ann Rev Earth Planet Sci 30(1):207–235

    Google Scholar 

  • Rigden SM, Ahrens TJ, Stolper E (1989) High-pressure equation of state of molten anorthite and diopside. J Geophys Res 94(B7):9508–9522

    Google Scholar 

  • Ringwood A (1967) The pyroxene-garnet transformation in the earth’s mantle. Earth Planet Sci Lett 2(3):255–263

    Google Scholar 

  • Ringwood AE (1975) Composition and petrology of the earth’s mantle. MacGraw-Hill, New York, p 618

    Google Scholar 

  • Ringwood AE (1982) Phase transformations and differentiation in subducted lithosphere: implications for mantle dynamics, basalt petrogenesis, and crustal evolution. J Geol 90(6):611–643

    Google Scholar 

  • Rivers M, Prakapenka VB, Kubo A, Pullins C, Holl CM, Jacobsen SD (2008) The COMPRES/GSECARS gas-loading system for diamond anvil cells at the advanced photon source. High Press Res 28(3):273–292

    Google Scholar 

  • Rubin AE (1997) Mineralogy of meteorite groups. Meteorit Planet Sci 32(2):231–247

    Google Scholar 

  • Sang L, Bass JD (2014) Single-crystal elasticity of diopside to 14 GPa by Brillouin scattering. Phys Earth Planet Inter 228:75–79

    Google Scholar 

  • Sheldrick G (2008) A short history of shelx. Acta Crystallogr Sect A 64(1):112–122

    Google Scholar 

  • Subramanian A (1962) Pyroxenes and garnets from charnockites and associated granulites. Bulletin of the Geological Society of America 21–36

  • Svendsen B, Ahrens TJ (1983) Dynamic compression of diopside and salite to 200 GPa. Geophys Res Lett 10(7):501–504

    Google Scholar 

  • Svendsen B, Ahrens TJ (1990) Shock-induced temperatures of \(\text{CaMgSi}_{{2}}\text{O}_{{6}}\). J Geophys Res 95(B5):6943–6953

    Google Scholar 

  • Thompson R, Downs R (2008) The crystal structure of diopside at pressure to 10 GPa. Am Mineral 93:177–186

    Google Scholar 

  • Tomioka N, Kimura M (2003) The breakdown of diopside to Ca-rich majorite and glass in a shocked H chondrite. Earth Planet Sci Lett 208(3–4):271–278

    Google Scholar 

  • Van Mierlo W, Langenhorst F, Frost D, Rubie D (2013) Stagnation of subducting slabs in the transition zone due to slow diffusion in majoritic garnet. Nat Geosci 6(5):400

    Google Scholar 

  • Walker AM (2012) The effect of pressure on the elastic properties and seismic anisotropy of diopside and jadeite from atomic scale simulation. Phys Earth Planet Inter 192:81–89

    Google Scholar 

  • Walker AM, Tyer RP, Bruin RP, Dove MT (2008) The compressibility and high pressure structure of diopside from first principles simulation. Phys Chem Miner 35(7):359–366

    Google Scholar 

  • Zhang A, Hsu W, Wang R, Ding M (2006) Pyroxene polymorphs in melt veins of the heavily shocked Sixiangkou L6 chondrite. Euro J Mineral 18(6):719–726

    Google Scholar 

  • Zhang L, Ahsbahs H, Hafner SS, Kutoglu A (1997) Single-crystal compression and crystal structure of clinopyroxene up to 10 GPa. Am Mineral 82:245–258

    Google Scholar 

  • Zhao Y (1998) Thermoelastic equation of state of monoclinic pyroxene: CaMgSi2O6 diopside. Rev High Press Sci Technol 7:25–27

    Google Scholar 

Download references

Acknowledgements

The project was supported by the National Science Foundation Division of Earth Sciences Geophysics grant 1722969 to P.D. Development of the ATREX software, used for experimental data analysis was supported by NSF EAR GeoInformatics grant 1440005. JSZ is supported by the National Science Foundation (NSF) under Grant EAR 1646527 (JSZ) and the start-up fund from UNM (JSZ). The experimental part of this work was performed at GeoSoilEnviroCARS (Sector 13), Advanced Photon Source (APS), Argonne National Laboratory. GeoSoilEnviroCARS is supported by the National Science Foundation-Earth Sciences (EAR-1128799) and Department of Energy-Geosciences (DE-FG02-94ER14466). Use of the COMPRES-GSECARS gas loading system was supported by COMPRES under NSF Cooperative Agreement EAR-1661511. Use of the Advanced Photon Source was supported by the US Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. We would also like to thank Carnegie-DOE Alliance Center for support through Academic Partner subcontract to P.D. and Prof. T.S.Duffy at Princeton University for kindly providing the single crystal samples from the Harry Hess collection. B.K. would like to acknowledge computational resources that were made available by the National Science Foundation through XSEDE under grant number DMR TG-110093.

Author information

Authors and Affiliations

  1. Department of Geology and Geophysics, University of Hawaii at Manoa, Honolulu, HI, USA

    Yi Hu

  2. Department of Physics, New Mexico State University, Las Cruces, NM, USA

    Boris Kiefer

  3. Department of Materials Science and Chemical Engineering, Stony Brook University, Stony Brook, NY, USA

    Anna Plonka

  4. Department of Geosciences, Stony Brook University, Stony Brook, NY, USA

    John B. Parise

  5. Department of Earth and Planetary Sciences, Institute of Meteoritics, University of New Mexico, Albuquerque, NM, USA

    Jin S. Zhang

  6. Hawaii Institute of Geophysics and Planetology, University of Hawaii at Manoa, Honolulu, HI, USA

    Murli H. Manghnani & Przemyslaw K. Dera

  7. Department of Physics and Astronomy, National Institute of Technology, Rourkela, Odisha, India

    Baikuntha N. Sahu

Authors
  1. Yi Hu
    View author publications

    You can also search for this author in PubMed Google Scholar

  2. Boris Kiefer
    View author publications

    You can also search for this author in PubMed Google Scholar

  3. Anna Plonka
    View author publications

    You can also search for this author in PubMed Google Scholar

  4. John B. Parise
    View author publications

    You can also search for this author in PubMed Google Scholar

  5. Jin S. Zhang
    View author publications

    You can also search for this author in PubMed Google Scholar

  6. Murli H. Manghnani
    View author publications

    You can also search for this author in PubMed Google Scholar

  7. Baikuntha N. Sahu
    View author publications

    You can also search for this author in PubMed Google Scholar

  8. Przemyslaw K. Dera
    View author publications

    You can also search for this author in PubMed Google Scholar

Corresponding author

Correspondence to Przemyslaw K. Dera.

Additional information

Publisher's Note

Springer Nature remains neutral with regard to jurisdictional claims in published maps and institutional affiliations.

Electronic supplementary material

Rights and permissions

Reprints and permissions

About this article

Check for updates. Verify currency and authenticity via CrossMark

Cite this article

Hu, Y., Kiefer, B., Plonka, A. et al. Compressional behavior of end-member and aluminous iron-bearing diopside at high pressure from single-crystal X-ray diffraction and first principles calculations. Phys Chem Minerals 46, 977–986 (2019). https://doi.org/10.1007/s00269-019-01056-8

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1007/s00269-019-01056-8

Keywords

Search

Navigation