Al, Fe substitution in the MgSiO3 perovskite structure: A single-crystal X-ray diffraction study

Carine B. Vanpeteghem, R. J. Angel, N. L. Ross, S. D. Jacobsen, D. P. Dobson, K. D. Litasov, E. Ohtani

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49 Citations (Scopus)


We have determined by single-crystal X-ray diffraction the crystal structure of three Fe-Al-MgSiO3 perovksite samples containing up to 9.5 wt% of Al2O3 and 19 wt% of FeO. We find that there is no evidence for Fe (Fe3+ or Fe2+) on the octahedral site. Therefore, we deduce that the two dominant substitution mechanisms for the combined substitution of Al and Fe into the perovskite structure are: (i) MgA2+ + SiB4+ ⇔ FeA3+ + AlB3+, where the excess of Fe is accommodated by (ii) MgA2+ ⇔ FeA2+. This is in agreement with all past theoretical and experimental work and solves the long-debated issue of Fe3+ occupancy in the perovskite structure.

Original languageEnglish
Pages (from-to)96-103
Number of pages8
JournalPhysics of the Earth and Planetary Interiors
Issue number1-2
Publication statusPublished - 2006 Apr 14


  • Cation partitioning
  • Single-crystal
  • Site occupancy
  • X-ray diffraction

ASJC Scopus subject areas

  • Astronomy and Astrophysics
  • Geophysics
  • Physics and Astronomy (miscellaneous)
  • Space and Planetary Science

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