High-resolution synchrotron X-ray powder diffraction and Rietveld structure refinement of two (Mg0.95,Fe0.05)SiO3 perovskite samples synthesized under different oxygen fugacity conditions

A. P. Jephcoat; J. A. Hriljac; C. A. McCammon; H. St C. O'Neill; D. C. Rubie; L. W. Finger

doi:10.2138/am-1999-0301

High-resolution synchrotron X-ray powder diffraction and Rietveld structure refinement of two (Mg_0.95,Fe_0.05)SiO₃ perovskite samples synthesized under different oxygen fugacity conditions

A. P. Jephcoat, J. A. Hriljac, C. A. McCammon, H. St C. O'Neill, D. C. Rubie, L. W. Finger

Research output: Contribution to journal › Article › peer-review

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Abstract

This paper presents high-resolution synchrotron X-ray powder diffraction data at 290 K on two Fe-bearing, polycrystalline silicate perovskite samples with approximate compositions (Mg_0.95Fe_0.05)SiO₃ synthesized at 25 GPa and 1920 K in a multi-anvil press at different oxygen fugacity conditions. Mossbauer studies have indicated that Fe³⁺/ΣFe for the samples are 0.09 ± 0.01 and near 0.16 ± 0.03. Rietveld structural refinements confirm that Fe²⁺ and Fe³⁺ dominantly substitute for Mg²⁺ in the 8-fold to 12-fold coordinated A site for both compositions. There appears to be no significant differences in the bond distances for these amounts of Fe³⁺ and no conclusive structural evidence to support indications from Mossbauer experiments that Fe³⁺ may occupy both A and B sites. To explore the effect of valence state further, this study also reports the first diffraction patterns of (Mg,Fe)SiO₃ perovskite collected at a wavelength near the Fe absorption edge.

Original language	English
Pages (from-to)	214-220
Number of pages	7
Journal	American Mineralogist
Volume	84
Issue number	3
DOIs	https://doi.org/10.2138/am-1999-0301
Publication status	Published - Mar 1999

ASJC Scopus subject areas

Geophysics
Geochemistry and Petrology

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Jephcoat, A. P., Hriljac, J. A., McCammon, C. A., O'Neill, H. S. C., Rubie, D. C., & Finger, L. W. (1999). High-resolution synchrotron X-ray powder diffraction and Rietveld structure refinement of two (Mg_0.95,Fe_0.05)SiO₃ perovskite samples synthesized under different oxygen fugacity conditions. American Mineralogist, 84(3), 214-220. https://doi.org/10.2138/am-1999-0301

High-resolution synchrotron X-ray powder diffraction and Rietveld structure refinement of two (Mg_0.95,Fe_0.05)SiO₃ perovskite samples synthesized under different oxygen fugacity conditions. / Jephcoat, A. P.; Hriljac, J. A.; McCammon, C. A. et al.
In: American Mineralogist, Vol. 84, No. 3, 03.1999, p. 214-220.

Research output: Contribution to journal › Article › peer-review

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title = "High-resolution synchrotron X-ray powder diffraction and Rietveld structure refinement of two (Mg0.95,Fe0.05)SiO3 perovskite samples synthesized under different oxygen fugacity conditions",

abstract = "This paper presents high-resolution synchrotron X-ray powder diffraction data at 290 K on two Fe-bearing, polycrystalline silicate perovskite samples with approximate compositions (Mg0.95Fe0.05)SiO3 synthesized at 25 GPa and 1920 K in a multi-anvil press at different oxygen fugacity conditions. Mossbauer studies have indicated that Fe3+/ΣFe for the samples are 0.09 ± 0.01 and near 0.16 ± 0.03. Rietveld structural refinements confirm that Fe2+ and Fe3+ dominantly substitute for Mg2+ in the 8-fold to 12-fold coordinated A site for both compositions. There appears to be no significant differences in the bond distances for these amounts of Fe3+ and no conclusive structural evidence to support indications from Mossbauer experiments that Fe3+ may occupy both A and B sites. To explore the effect of valence state further, this study also reports the first diffraction patterns of (Mg,Fe)SiO3 perovskite collected at a wavelength near the Fe absorption edge.",

author = "Jephcoat, {A. P.} and Hriljac, {J. A.} and McCammon, {C. A.} and O'Neill, {H. St C.} and Rubie, {D. C.} and Finger, {L. W.}",

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AU - Hriljac, J. A.

AU - McCammon, C. A.

AU - O'Neill, H. St C.

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N2 - This paper presents high-resolution synchrotron X-ray powder diffraction data at 290 K on two Fe-bearing, polycrystalline silicate perovskite samples with approximate compositions (Mg0.95Fe0.05)SiO3 synthesized at 25 GPa and 1920 K in a multi-anvil press at different oxygen fugacity conditions. Mossbauer studies have indicated that Fe3+/ΣFe for the samples are 0.09 ± 0.01 and near 0.16 ± 0.03. Rietveld structural refinements confirm that Fe2+ and Fe3+ dominantly substitute for Mg2+ in the 8-fold to 12-fold coordinated A site for both compositions. There appears to be no significant differences in the bond distances for these amounts of Fe3+ and no conclusive structural evidence to support indications from Mossbauer experiments that Fe3+ may occupy both A and B sites. To explore the effect of valence state further, this study also reports the first diffraction patterns of (Mg,Fe)SiO3 perovskite collected at a wavelength near the Fe absorption edge.

AB - This paper presents high-resolution synchrotron X-ray powder diffraction data at 290 K on two Fe-bearing, polycrystalline silicate perovskite samples with approximate compositions (Mg0.95Fe0.05)SiO3 synthesized at 25 GPa and 1920 K in a multi-anvil press at different oxygen fugacity conditions. Mossbauer studies have indicated that Fe3+/ΣFe for the samples are 0.09 ± 0.01 and near 0.16 ± 0.03. Rietveld structural refinements confirm that Fe2+ and Fe3+ dominantly substitute for Mg2+ in the 8-fold to 12-fold coordinated A site for both compositions. There appears to be no significant differences in the bond distances for these amounts of Fe3+ and no conclusive structural evidence to support indications from Mossbauer experiments that Fe3+ may occupy both A and B sites. To explore the effect of valence state further, this study also reports the first diffraction patterns of (Mg,Fe)SiO3 perovskite collected at a wavelength near the Fe absorption edge.

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High-resolution synchrotron X-ray powder diffraction and Rietveld structure refinement of two (Mg_0.95,Fe_0.05)SiO₃ perovskite samples synthesized under different oxygen fugacity conditions

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