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Equations of state and phase boundary for stishovite and CaCl2-type SiO2

  • Rebecca A. Fischer EMAIL logo , Andrew J. Campbell , Bethany A. Chidester , Daniel M. Reaman , Elizabeth C. Thompson , Jeffrey S. Pigott , Vitali B. Prakapenka and Jesse S. Smith
Published/Copyright: April 30, 2018
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American Mineralogist
From the journal American Mineralogist Volume 103 Issue 5

Abstract

Silica is thought to be present in the Earth’s lower mantle in subducting plates, in addition to being a prototypical solid whose physical properties are of broad interest. It is known to undergo a phase transition from stishovite to the CaCl2-type structure at ~50–80 GPa, but the exact location and slope of the phase boundary in pressure-temperature space is unresolved. There have been many previous studies on the equation of state of stishovite, but they span a limited range of pressures and temperatures, and there has been no thermal equation of state of CaCl2-type SiO2 measured under static conditions. We have investigated the phase diagram and equations of state of silica at 21–89 GPa and up to ~3300 K using synchrotron X-ray diffraction in a laser-heated diamond-anvil cell. The phase boundary between stishovite and CaCl2-type SiO2 can be approximately described as T = 64.6(49)·P – 2830(350), with temperature T in Kelvin and pressure P in GPa. The stishovite data imply K0′ = 5.24(9) and a quasi-anharmonic T2 dependence of −6.0(4) × 10−6 GPa·cm3/mol/K2 for a fixed q = 1, γ0 = 1.71, and K0 = 302 GPa, while for the CaCl2-type phase K0 = 341(4) GPa, K0′ = 3.20(16), and γ0 = 2.14(4) with other parameters equal to their values for stishovite. The behaviors of the a and c axes of stishovite with pressure and temperature were also fit, indicating a much more compressible c axis with a lower thermal expansion as compared to the a axis. The phase transition between stishovite and CaCl2-type silica should occur at pressures of 68–78 GPa in the Earth, depending on the temperature in subducting slabs. Silica is denser than surrounding mantle material up to pressures of 58–68 GPa, with uncertainty due to temperature effects; at higher pressures than this, SiO2 becomes gravitationally buoyant in the lower mantle.

Keywords: Silica; SiO2; stishovite; phase diagram; equation of state; phase transition; X-ray diffraction

† Present address: Department of Earth and Planetary Sciences, University of California Davis, 1 Shields Avenue, Davis, CA 95616, U.S.A.

‡ Present address: Department of Earth, Environmental, and Planetary Sciences, Case Western Reserve University, 10900 Euclid Avenue, Cleveland, OH 44106, U.S.A.

Acknowledgments

We are grateful to the editor for handling our manuscript and to two anonymous reviewers for their constructive feedback. We thank Dion Heinz, Jacob Britz, and beamline scientist Clemens Prescher for assistance with running experiments. This work was supported by a National Science Foundation (NSF) Graduate Research Fellowship, Illinois Space Grant Consortium Graduate Research Fellowship, International Centre for Diffraction Data Ludo Frevel Crystallography Scholarship, University of Chicago Plotnick Fellowship, and NSF Postdoctoral Fellowship (EAR-1452626) to R.A.F. and NSF grant EAR-1427123 to A.J.C. J.S.P. was supported by the OSU Presidential Fellowship and NSF grant EAR-0955647 awarded to Wendy R. Panero and thanks CDAC for the HPCAT beamtime award. J.S.S. acknowledges the support of DOE-BES/DMSE under Award DE-FG02-99ER45775. Portions of this work were performed at GeoSoilEnviroCARS (Sector 13), Advanced Photon Source (APS), Argonne National Laboratory (ANL). GeoSoilEnviroCARS is supported by the NSF–Earth Sciences (EAR-1634415) and the Department of Energy (DOE), Geosciences (DE-FG02-94ER14466). Portions of this work were performed at HPCAT (Sector 16), APS, ANL. HPCAT operation is supported by DOE-NNSA under Award No. DE-NA0001974, with partial instrumentation funding by NSF. This research used resources of the APS, a U.S. DOE Office of Science User Facility operated for the DOE Office of Science by ANL under Contract No. DE-AC02-06CH11357.

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Received: 2017-8-3
Accepted: 2018-2-8
Published Online: 2018-4-30
Published in Print: 2018-5-25

© 2018 Walter de Gruyter GmbH, Berlin/Boston

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https://doi.org/10.2138/am-2018-6267
Keywords for this article
Silica; SiO2; stishovite; phase diagram; equation of state; phase transition; X-ray diffraction

Articles in the same Issue

  1. Review
  2. Biosilica as a source for inspiration in biological materials science
  4. Ab initio study of water speciation in forsterite: Importance of the entropic effect
  6. Surface-modified phillipsite-rich tuff from the Campania region (southern Italy) as a promising drug carrier: An ibuprofen sodium salt trial
  8. Structure of low-order hemimorphite produced in a Zn-rich environment by cyanobacterium Leptolingbya frigida
  10. Formation of dolomite catalyzed by sulfate-driven anaerobic oxidation of methane: Mineralogical and geochemical evidence from the northern South China Sea
  12. Anisotropic growth of olivine during crystallization in basalts from Hawaii: Implications for olivine fabric development
  14. Melting experiments on Fe–Si–S alloys to core pressures: Silicon in the core?
  16. High-pressure phase behavior and equations of state of ThO2 polymorphs
  18. Mafic inputs into the rhyolitic magmatic system of the 2.08 Ma Huckleberry Ridge eruption, Yellowstone
  20. Toward the wider application of 29Si NMR spectroscopy to paramagnetic transition metal silicate minerals and glasses: Fe(II), Co(II), and Ni(II) silicates
  22. Equations of state and phase boundary for stishovite and CaCl2-type SiO2
  24. Insight on gem opal formation in volcanic ash deposits from a supereruption: A case study through oxygen and hydrogen isotopic composition of opals from Lake Tecopa, California, U.S.A
  26. Revisiting the crystal structure of dickite: X-ray diffraction, solid-state NMR, and DFT calculations study
  28. Temperature and pressure effects on the partitioning of V and Sc between clinopyroxene and silicate melt: Implications for mantle oxygen fugacity
  29. Letter
  30. Why natural monazite never becomes amorphous: Experimental evidence for alpha self-healing
  32. New Mineral Names
  33. Book Review
  34. Book Review: Glaciovolcanism on Earth and Mars: Products, Processes and Paleoenvironmental Significance
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