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Synthesis and crystal chemistry of Fe3+-bearing (Mg,Fe3+)(Si,Fe3+)O3 perovskite

  • Daniel R. Hummer EMAIL logo and Yingwei Fei
Published/Copyright: April 2, 2015
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American Mineralogist
From the journal American Mineralogist Volume 97 Issue 11-12

Abstract

We have synthesized magnesium-iron silicate perovskites with the general formula Mg1-xFe3+x+ySi1-y O3, in which the iron cation is exclusively trivalent. To investigate the crystal chemistry of Fe3+-bearing perovskite, six samples (both with and without Al) were analyzed using scanning electron microscopy, electron microprobe, X-ray diffraction, and Mössbauer spectroscopy. Results indicate that Fe3+ substitutes significantly into both the octahedral and dodecahedral sites in the orthorhombic perovskite structure, but prefers the octahedral site at Fe3+ concentrations between 0.04 and 0.05 Fe per formula unit, and the dodecahedral site at higher Fe3+ concentrations. We propose a model in which Fe3+ in the A/B site (in excess of that produced by charge coupled substitution) is accommodated by Mg/O vacancies. Hyperfine parameters refined from the Mössbauer spectra also indicate that a portion of dodecahedral sites undergo significant structural distortion. The presence of Fe3+ in the perovskite structure increases the unit-cell volume substantially compared to either the Mg end-member, or Fe2+-bearing perovskite, and the addition of Al did not significantly alter the volume. Implications for increased compressibility and a partially suppressed spin transition of Fe3+ in lower mantle perovskite are also discussed.

Keywords : Perovskite; ferric iron; lower mantle; oxidation state; diffraction; Mössbauer; crystal chemistry
Received: 2012-2-24
Accepted: 2012-8-3
Published Online: 2015-4-2
Published in Print: 2012-11-1

© 2015 by Walter de Gruyter Berlin/Boston

Articles in the same Issue

  1. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series
  2. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part I. Flux growth and chemical characterization
  3. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales
  4. CO2 solubility in primitive martian basalts similar to Yamato 980459, the effect of composition on CO2 solubility of basalts, and the evolution of the martian atmosphere
  5. New structural features of the high-pressure synthetic sheet-disilicate Phase-X, K(2–x)Mg2Si2O7Hx
  6. Crystal structure refinements of borate dimorphs inderite and kurnakovite using 11B and 25Mg nuclear magnetic resonance and DFT calculations
  7. Hydrogen-bond system and dehydration behavior of the natural zeolite parthéite
  8. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study
  9. LREE-redistribution among fluorapatite, monazite, and allanite at high pressures and temperatures
  10. A single-crystal neutron diffraction study of hambergite, Be2BO3(OH,F)
  11. Analyzing water contents in unexposed glass inclusions in quartz crystals
  12. The atomic structure of deuterated boyleite ZnSO4·4D2O, ilesite MnSO4·4D2O, and bianchite ZnSO4·6D2O
  13. Synthesis and crystal chemistry of Fe3+-bearing (Mg,Fe3+)(Si,Fe3+)O3 perovskite
  14. Mixed-layered structure formation during trans-vacant Al-rich illite partial dehydroxylation
  15. Structural regularities in 2M1 dioctahedral micas: The structure modeling approach
  16. Incorporation of Fe and Al in MgSiO3 perovskite: An investigation by 27Al and 29Si NMR spectroscopy
  17. In situ high-temperature Raman and FTIR spectroscopy of the phase transformation of lizardite
  18. Packing systematics and structural relationships of the new copper molybdate markascherite and related minerals
  19. On the origin of sellaite (MgF2)-rich deposits in Mg-poor environments
  20. Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia
  21. Whelanite, Cu2Ca6[Si6O17(OH)](CO3)(OH)3(H2O)2, an (old) new mineral from the Bawana mine, Milford, Utah
  22. 2M1-phlogopite from Black Hills (South Australia): The first case of configurational polytype in micas
  23. Oxy-chromium-dravite, NaCr3(Cr4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup
  24. First-principles study of self-diffusion and viscous flow in diopside (CaMgSi2O6) liquid
  25. Browneite, MnS, a new sphalerite-group mineral from the Zakłodzie meteorite
  26. Mineralogical variation of silica induced by Al and Na in hydrothermal solutions
https://doi.org/10.2138/am.2012.4144
Keywords for this article
Perovskite; ferric iron; lower mantle; oxidation state; diffraction; Mössbauer; crystal chemistry

Articles in the same Issue

  1. Cation ordering over short-range and long-range scales in the MgAl2O4-CuAl2O4 series
  2. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part I. Flux growth and chemical characterization
  3. Blue spinel crystals in the MgAl2O4-CoAl2O4 series: Part II. Cation ordering over short-range and long-range scales
  4. CO2 solubility in primitive martian basalts similar to Yamato 980459, the effect of composition on CO2 solubility of basalts, and the evolution of the martian atmosphere
  5. New structural features of the high-pressure synthetic sheet-disilicate Phase-X, K(2–x)Mg2Si2O7Hx
  6. Crystal structure refinements of borate dimorphs inderite and kurnakovite using 11B and 25Mg nuclear magnetic resonance and DFT calculations
  7. Hydrogen-bond system and dehydration behavior of the natural zeolite parthéite
  8. In situ dehydration behavior of zeolite-like cavansite: A single-crystal X-ray study
  9. LREE-redistribution among fluorapatite, monazite, and allanite at high pressures and temperatures
  10. A single-crystal neutron diffraction study of hambergite, Be2BO3(OH,F)
  11. Analyzing water contents in unexposed glass inclusions in quartz crystals
  12. The atomic structure of deuterated boyleite ZnSO4·4D2O, ilesite MnSO4·4D2O, and bianchite ZnSO4·6D2O
  13. Synthesis and crystal chemistry of Fe3+-bearing (Mg,Fe3+)(Si,Fe3+)O3 perovskite
  14. Mixed-layered structure formation during trans-vacant Al-rich illite partial dehydroxylation
  15. Structural regularities in 2M1 dioctahedral micas: The structure modeling approach
  16. Incorporation of Fe and Al in MgSiO3 perovskite: An investigation by 27Al and 29Si NMR spectroscopy
  17. In situ high-temperature Raman and FTIR spectroscopy of the phase transformation of lizardite
  18. Packing systematics and structural relationships of the new copper molybdate markascherite and related minerals
  19. On the origin of sellaite (MgF2)-rich deposits in Mg-poor environments
  20. Edgrewite Ca9(SiO4)4F2-hydroxyledgrewite Ca9(SiO4)4(OH)2, a new series of calcium humite-group minerals from altered xenoliths in the ignimbrite of Upper Chegem caldera, Northern Caucasus, Kabardino-Balkaria, Russia
  21. Whelanite, Cu2Ca6[Si6O17(OH)](CO3)(OH)3(H2O)2, an (old) new mineral from the Bawana mine, Milford, Utah
  22. 2M1-phlogopite from Black Hills (South Australia): The first case of configurational polytype in micas
  23. Oxy-chromium-dravite, NaCr3(Cr4Mg2)(Si6O18)(BO3)3(OH)3O, a new mineral species of the tourmaline supergroup
  24. First-principles study of self-diffusion and viscous flow in diopside (CaMgSi2O6) liquid
  25. Browneite, MnS, a new sphalerite-group mineral from the Zakłodzie meteorite
  26. Mineralogical variation of silica induced by Al and Na in hydrothermal solutions
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