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

  • Feiwu Zhang ORCID logo , Tingting Xiao and Joshua M.R. Muir
Published/Copyright: March 2, 2023
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American Mineralogist
From the journal American Mineralogist Volume 108 Issue 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.

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Received: 2021-10-17
Accepted: 2022-03-05
Published Online: 2023-03-02
Published in Print: 2023-03-28

© 2023 Mineralogical Society of America

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https://doi.org/10.2138/am-2022-8356
Keywords for this article
CaSiO3; MgSiO3; iron; miscibility; the lower mantle; Physics and Chemistry of Earth’s Deep Mantle and Core

Articles in the same Issue

  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
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  20. New Mineral Names: Arsenic and Lead
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