Startseite Solid solution of CaSiO3 and MgSiO3 perovskites in the lower mantle: The role of ferrous iron
Artikel
Lizenziert
Nicht lizenziert Erfordert eine Authentifizierung

Solid solution of CaSiO3 and MgSiO3 perovskites in the lower mantle: The role of ferrous iron

  • Feiwu Zhang ORCID logo , Tingting Xiao und Joshua M.R. Muir
Veröffentlicht/Copyright: 2. März 2023
Veröffentlichen auch Sie bei De Gruyter Brill
Informationen für Autor*innen
American Mineralogist
Aus der Zeitschrift American Mineralogist Band 108 Heft 3

Abstract

The solid solution between CaSiO3 and MgSiO3 perovskites is an important control on the properties of the lower mantle but the effect of one of the most important impurity elements (iron) on this solution is largely unknown. Using density functional theory (DFT), ferrous iron’s influence on the reciprocal solubility of MgSiO3 and CaSiO3 perovskite (forming a single Ca-Mg mixed perovskite phase) was calculated under pressures and temperatures of 25–125 GPa and 0–3000 K, respectively. Except at iron-rich conditions, ferrous iron preferentially partitions into the mixed perovskite phase over bridgmanite. This is a small effect (partitioning coefficient KD ~0.25–1), however, when compared to the partitioning of ferrous iron to ferropericlase, which rules out perovskite phase mixing as a mechanism for creating iron-rich regions in the mantle. Iron increases the miscibility of Ca and Mg perovskite phases and reduces the temperature at which the two perovskite phases mix but this effect is highly nonlinear. We find that for a pyrolytic mantle [Ca% = 12.5 where Ca% = Ca/(Ca+Mg)] a perovskite ferrous iron concentration of ~13% leads to the lowest mixing temperature and the highest miscibility. With this composition, 1% ferrous iron in a pyrolytic composition would lead to mixing at ~120 GPa along the geothermal gradient, and 6.25% ferrous iron leads to mixing at ~115 GPa and 13% ~110 GPa. At high iron concentrations, Fe starts to impair miscibility, with 25% ferrous iron leading to mixing at ~120 GPa. Thus, in normal pyrolytic mantle, iron could induce a small amount of Ca-pv and Mg-pv mixing near the D″ layer but it generally partitions to ferropericlase instead and does not impact mixing. Extremely iron rich parts of the lower mantle such as ULVZs or the CMB (potentially) are also not a likely source of phase mixed perovskites due to the nonlinear effect of ferrous iron on phase mixing.

Keywords: CaSiO3; MgSiO3; iron; miscibility; the lower mantle; Physics and Chemistry of Earth’s Deep Mantle and Core

‡ Special collection papers can be found online at http://www.minsocam.org/MSA/AmMin/special-collections.html.

References cited

Anderson, O.L., Isaak, D.G., and Yamamoto, S. (1989) Anharmonicity and the equation of state for gold. Journal of Applied Physics, 65, 1534–1543, https://doi.org/10.1063/1.342969Suche in Google Scholar

Armstrong, L.S., Walter, M.J., Tuff, J.R., Lord, O.T., Lennie, A.R., Kleppe, A.K., and Clark, S.M. (2012) Perovskite phase relations in the system CaO-MgO-TiO2-SiO2 and implications for deep mantle lithologies. Journal of Petrology, 53, 611–635, https://doi.org/10.1093/petrology/egr073Suche in Google Scholar

Creasy, N., Girard, J., Eckert, J.O., and Lee, K.K.M. (2020) The role of redox on bridgmanite crystal chemistry and calcium speciation in the lower mantle. Journal of Geophysical Research: Solid Earth, 125, e2020JB020783, https://doi.org/10.1029/2020JB020783Suche in Google Scholar

Dudarev, S.L., Botton, G.A., Savrasov, S.Y., Humphreys, C.J., and Sutton, A.P. (1998) Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study. Physical Review B: Condensed Matter, 57, 1505–1509, https://doi.org/10.1103/PhysRevB.57.1505Suche in Google Scholar

Flyvbjerg, H. and Petersen, H.G. (1989) Error-estimates on averages of correlated data. The Journal of Chemical Physics, 91, 461–466, https://doi.org/10.1063/1.457480Suche in Google Scholar

Fujino, K., Sasaki, Y., Komori, T., Ogawa, H., Miyajima, N., Sata, N., and Yagi, T. (2004) Approach to the mineralogy of the lower mantle by a combined method of a laser-heated diamond anvil cell experiment and analytical electron microscopy. Physics of the Earth and Planetary Interiors, 143–144, 215–221, https://doi.org/10.1016/j.pepi.2003.11.013Suche in Google Scholar

Gialampouki, M.A., Xu, S., and Morgan, D. (2018) Iron valence and partitioning between post-perovskite and ferropericlase in the Earth’s lowermost mantle. Physics of the Earth and Planetary Interiors, 282, 110–116, https://doi.org/10.1016/j.pepi.2018.06.005Suche in Google Scholar

Hirose, K. (2002) Phase transitions in pyrolitic mantle around 670-km depth: Implications for upwelling of plumes from the lower mantle. Journal of Geophysical Research: Solid Earth, 107, ECV 3-1–ECV 3-13, https://doi.org/10.1029/2001JB000597Suche in Google Scholar

Hirose, K., Takafuji, N., Sata, N., and Ohishi, Y. (2005) Phase transition and density of subducted MORB crust in the lower mantle. Earth and Planetary Science Letters, 237, 239–251, https://doi.org/10.1016/j.epsl.2005.06.035Suche in Google Scholar

Irifune, T., Susaki, J., Yagi, T., and Sawamoto, H. (1989) Phase-transformations in diopside CaMgSi2O6 at pressures up to 25-GPa. Geophysical Research Letters, 16, 187–190, https://doi.org/10.1029/GL016i002p00187Suche in Google Scholar

Irifune, T., Miyashita, M., Inoue, T., Ando, J., Funakoshi, K., and Utsumi, W. (2000) High-pressure phase transformation in CaMgSi2O6and implications for origin of ultra-deep diamond inclusions. Geophysical Research Letters, 27, 3541–3544, https://doi.org/10.1029/2000GL012105Suche in Google Scholar

Irifune, T., Shinmei, T., McCammon, C.A., Miyajima, N., Rubie, D.C., and Frost, D.J. (2010) Iron partitioning and density changes of pyrolite in Earth’s lower mantle. Science, 327, 193–195, https://doi.org/10.1126/science.1181443Suche in Google Scholar

Jung, D.Y. and Schmidt, M.W. (2011) Solid solution behaviour of CaSiO3 and MgSiO3 perovskites. Physics and Chemistry of Minerals, 38, 311–319, https://doi.org/10.1007/s00269-010-0405-0Suche in Google Scholar

Kesson, S.E., Fitz Gerald, J.D., Shelley, J.M.G., and Withers, R.L. (1995) Phase-relations, structure and crystal-chemistry of some aluminous silicate perovskites. Earth and Planetary Science Letters, 134, 187–201, https://doi.org/10.1016/0012-821X(95)00112-PSuche in Google Scholar

Kesson, S.E., Fitz Gerald, J.D., and Shelley, J.M. (1998) Mineralogy and dynamics of a pyrolite lower mantle. Nature, 393, 252–255, https://doi.org/10.1038/30466Suche in Google Scholar

Kresse, G. and Furthmüller, J. (1996a) Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set. Computational Materials Science, 6, 15–50, https://doi.org/10.1016/0927-0256(96)00008-0Suche in Google Scholar

Kresse, G. and Furthmüller, J. (1996b) Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set. Physical Review B: Condensed Matter, 54, 11169–11186, https://doi.org/10.1103/PhysRevB.54.11169Suche in Google Scholar

Kresse, G. and Joubert, D. (1999) From ultrasoft pseudopotentials to the projector augmented-wave method. Physical Review B: Condensed Matter, 59, 1758–1775, https://doi.org/10.1103/PhysRevB.59.1758Suche in Google Scholar

Mattern, E., Matas, J., Ricard, Y., and Bass, J. (2005) Lower mantle composition and temperature from mineral physics and thermodynamic modelling. Geophysical Journal International, 160, 973–990, https://doi.org/10.1111/j.1365-246X.2004.02549.xSuche in Google Scholar

Michael, P.J. and Bonatti, E. (1985) Peridotite composition from the North-Atlantic— regional and tectonic variations and implications for partial melting. Earth and Planetary Science Letters, 73, 91–104, https://doi.org/10.1016/0012-821X(85)90037-8Suche in Google Scholar

Muir, J.M.R. and Brodholt, J.P. (2016) Ferrous iron partitioning in the lower mantle. Physics of the Earth and Planetary Interiors, 257, 12–17, https://doi.org/10.1016/j.pepi.2016.05.008Suche in Google Scholar

Muir, J.M.R. and Brodholt, J.P. (2020) Ferric iron in bridgmanite and implications for ULVZs. Physics of the Earth and Planetary Interiors, 306, 106505, https://doi.org/10.1016/j.pepi.2020.106505Suche in Google Scholar

Muir, J.M.R., Thomson, A.R., and Zhang, F. (2021) The miscibility of calcium silicate perovskite and bridgmanite: A single phase perovskite in hot, iron-rich regions. Earth and Planetary Science Letters, 566, 116973, https://doi.org/10.1016/j.epsl.2021.116973Suche in Google Scholar

Ohtani, E., Yuan, L., Ohira, I., Shatskiy, A., and Litasov, K. (2018) Fate of water transported into the deep mantle by slab subduction. Journal of Asian Earth Sciences, 167, 2–10, https://doi.org/10.1016/j.jseaes.2018.04.024Suche in Google Scholar

O’Neill, B. and Jeanloz, R. (1990) Experimental petrology of the lower mantle—A natural peridotite taken to 54 GPa. Geophysical Research Letters, 17, 1477–1480, https://doi.org/10.1029/GL017i010p01477Suche in Google Scholar

Perdew, J.P., Burke, K., and Ernzerhof, M. (1996) Generalized gradient approximation made simple. Physical Review Letters, 77, 3865–3868, https://doi.org/10.1103/PhysRevLett. 77.3865Suche in Google Scholar

Perdew, J.P., Burke, K., and Ernzerhof, M. (1997) Generalized gradient approximation made simple. Physical Review Letters, 78, 1396, https://doi.org/10.1103/PhysRevLett.78.1396Suche in Google Scholar

Ricolleau, A., Perrillat, J.-P., Fiquet, G., Daniel, I., Matas, J., Addad, A., Menguy, N., Cardon, H., Mezouar, M., and Guignot, N. (2010) Phase relations and equation of state of a natural MORB: Implications for the density profile of subducted oceanic crust in the Earth’s lower mantle. Journal of Geophysical Research, 115 (B8), B08202, https://doi.org/10.1029/2009JB006709Suche in Google Scholar

Ringwood, A.E. (1991) Phase-transformations and their bearing on the constitution and dynamics of the mantle. Geochimica et Cosmochimica Acta, 55, 2083–2110, https://doi.org/10.1016/0016-7037(91)90090-RSuche in Google Scholar

Shim, S.H., Grocholski, B., Ye, Y., Alp, E.E., Xu, S., Morgan, D., Meng, Y., and Prakapenka, V.B. (2017) Stability of ferrous-iron-rich bridgmanite under reducing midmantle conditions. Proceedings of the National Academy of Sciences, 114, 6468–6473, https://doi.org/10.1073/pnas.1614036114Suche in Google Scholar

Shukla, G., Wu, Z. Q., Hsu, H., Floris, A., Cococcioni, M., and Wentzcovitch, R.M. (2015) Thermoelasticity of Fe2+-bearing bridgmanite. Geophysical Research Letters, 42, 1741–1749, https://doi.org/10.1002/2014GL062888Suche in Google Scholar

Tamai, H. and Yagi, T. (1989) High-pressure and high-temperature phase-relations in CaSiO3 and CaMgSi2O6 and elasticity of perovskite-type CaSiO3. Physics of the Earth and Planetary Interiors, 54, 370–377, https://doi.org/10.1016/0031-9201(89)90254-9Suche in Google Scholar

Vitos, L., Magyari-Köpe, B., Ahuja, R., Kollár, J., Grimvall, G., and Johansson, B. (2006) Phase transformations between garnet and perovskite phases in the Earth’s mantle: A theoretical study. Physics of the Earth and Planetary Interiors, 156, 108–116, https://doi.org/10.1016/j.pepi.2006.02.004Suche in Google Scholar

Wang, X.L., Tsuchiya, T., and Zeng, Z. (2019) Effects of Fe and Al incorporations on the bridgmanite-postperovskite coexistence domain. Comptes Rendus Geoscience, 351, 141–146, https://doi.org/10.1016/j.crte.2018.10.003Suche in Google Scholar

Xu, S., Shim, S.H., and Morgan, D. (2015) Origin of Fe3+ in Fe-containing, Al-free mantle silicate perovskite. Earth and Planetary Science Letters, 409, 319–328, https://doi.org/10.1016/j.epsl.2014.11.006Suche in Google Scholar
Received: 2021-10-17
Accepted: 2022-03-05
Published Online: 2023-03-02
Published in Print: 2023-03-28

© 2023 Mineralogical Society of America

Artikel in diesem Heft

  1. Mineralogy and bulk geochemistry of a fumarole at Hverir, Iceland: Analog for acid-sulfate leaching on Mars
  2. The crystal structure and chemistry of natural giniite and implications for Mars
  3. Solid solution of CaSiO3 and MgSiO3 perovskites in the lower mantle: The role of ferrous iron
  4. Secondary ion mass spectrometer analyses for trace elements in glass standards using variably charged silicon ions for normalization
  5. Raman shifts of c-BN as an ideal P-T sensor for studying water-rock interactions in a diamond-anvil cell
  6. Resetting of the U-Pb and Th-Pb systems in altered bastnäsite: Insight from the behavior of Pb at nanoscale
  7. X-ray diffraction reveals two structural transitions in szomolnokite
  8. Contamination of heterogeneous lower crust in Hannuoba tholeiite: Evidence from in situ trace elements and strontium isotopes of plagioclase
  9. Oxygen fugacity buffering in high-pressure solid media assemblies from IW-6.5 to IW+4.5 and application to the V K-edge oxybarometer
  10. Trace element partitioning between anhydrite, sulfate melt, and silicate melt
  11. Chemical reaction between ferropericlase (Mg,Fe)O and water under high pressure-temperature conditions of the deep lower mantle
  12. Composition-dependent thermal equation of state of B2 Fe-Si alloys at high pressure
  13. Effects of thermal annealing on water content and δ18O in zircon
  14. Tourmaline and zircon trace the nature and timing of magmatic-hydrothermal episodes in granite-related Sn mineralization: Insights from the Libata Sn ore field
  15. Cation ordering, twinning, and pseudo-symmetry in silicate garnet: The study of a birefringent garnet with orthorhombic structure
  16. The occurrence of monoclinic jarosite in natural environments
  17. Niobium speciation in minerals revealed by L2,3-edges XANES spectroscopy
  18. The first occurrence of the carbide anion, C4–, in an oxide mineral: Mikecoxite, ideally (CHg4)OCl2, from the McDermitt open-pit mine, Humboldt County, Nevada, U.S.A
  19. Hydrothermal alteration of Ni-rich sulfides in peridotites of Abu Dahr, Eastern Desert, Egypt: Relationships among minerals in the Fe-Ni-Co-O-S system, fO2 and fS2
  20. New Mineral Names: Arsenic and Lead
https://doi.org/10.2138/am-2022-8356
Schlagwörter für diesen Artikel
CaSiO3; MgSiO3; iron; miscibility; the lower mantle; Physics and Chemistry of Earth’s Deep Mantle and Core

Artikel in diesem Heft

  1. Mineralogy and bulk geochemistry of a fumarole at Hverir, Iceland: Analog for acid-sulfate leaching on Mars
  2. The crystal structure and chemistry of natural giniite and implications for Mars
  3. Solid solution of CaSiO3 and MgSiO3 perovskites in the lower mantle: The role of ferrous iron
  4. Secondary ion mass spectrometer analyses for trace elements in glass standards using variably charged silicon ions for normalization
  5. Raman shifts of c-BN as an ideal P-T sensor for studying water-rock interactions in a diamond-anvil cell
  6. Resetting of the U-Pb and Th-Pb systems in altered bastnäsite: Insight from the behavior of Pb at nanoscale
  7. X-ray diffraction reveals two structural transitions in szomolnokite
  8. Contamination of heterogeneous lower crust in Hannuoba tholeiite: Evidence from in situ trace elements and strontium isotopes of plagioclase
  9. Oxygen fugacity buffering in high-pressure solid media assemblies from IW-6.5 to IW+4.5 and application to the V K-edge oxybarometer
  10. Trace element partitioning between anhydrite, sulfate melt, and silicate melt
  11. Chemical reaction between ferropericlase (Mg,Fe)O and water under high pressure-temperature conditions of the deep lower mantle
  12. Composition-dependent thermal equation of state of B2 Fe-Si alloys at high pressure
  13. Effects of thermal annealing on water content and δ18O in zircon
  14. Tourmaline and zircon trace the nature and timing of magmatic-hydrothermal episodes in granite-related Sn mineralization: Insights from the Libata Sn ore field
  15. Cation ordering, twinning, and pseudo-symmetry in silicate garnet: The study of a birefringent garnet with orthorhombic structure
  16. The occurrence of monoclinic jarosite in natural environments
  17. Niobium speciation in minerals revealed by L2,3-edges XANES spectroscopy
  18. The first occurrence of the carbide anion, C4–, in an oxide mineral: Mikecoxite, ideally (CHg4)OCl2, from the McDermitt open-pit mine, Humboldt County, Nevada, U.S.A
  19. Hydrothermal alteration of Ni-rich sulfides in peridotites of Abu Dahr, Eastern Desert, Egypt: Relationships among minerals in the Fe-Ni-Co-O-S system, fO2 and fS2
  20. New Mineral Names: Arsenic and Lead
Jetzt anmelden und 20% sparen
Institutioneller Zugang
Wie funktioniert Authentifizierung?
Haben Sie eine Idee, wie wir unsere Website verbessern können?
Bitte schreiben Sie uns.
© 2025 De Gruyter Brill
Heruntergeladen am 2.10.2025 von https://www.degruyterbrill.com/document/doi/10.2138/am-2022-8356/html?lang=de
Button zum nach oben scrollen