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

Research output: Contribution to journalArticle

21 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)214-220
Number of pages7
JournalAmerican Mineralogist
Volume84
Issue number3
Publication statusPublished - Mar 1999
Externally publishedYes

Fingerprint

perovskite
fugacity
Synchrotrons
X ray powder diffraction
synchrotrons
Bearings (structural)
X-ray diffraction
Oxygen
fold
Silicates
oxygen
high resolution
anvils
Chemical analysis
diffraction
Diffraction patterns
silicates
indication
x rays
diffraction patterns

ASJC Scopus subject areas

  • Geochemistry and Petrology
  • Geophysics

Cite this

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

In: American Mineralogist, Vol. 84, No. 3, 03.1999, p. 214-220.

Research output: Contribution to journalArticle

Jephcoat, A. P. ; Hriljac, J. A. ; McCammon, C. A. ; O'Neill, H. St C ; Rubie, D. C. ; Finger, L. W. / 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. In: American Mineralogist. 1999 ; Vol. 84, No. 3. pp. 214-220.
@article{dbf782e7425044a0832e0c57c47a0171,
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.}",
year = "1999",
month = "3",
language = "English",
volume = "84",
pages = "214--220",
journal = "American Mineralogist",
issn = "0003-004X",
publisher = "Mineralogical Society of America",
number = "3",

}

TY - JOUR

T1 - 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

AU - Jephcoat, A. P.

AU - Hriljac, J. A.

AU - McCammon, C. A.

AU - O'Neill, H. St C

AU - Rubie, D. C.

AU - Finger, L. W.

PY - 1999/3

Y1 - 1999/3

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.

UR - http://www.scopus.com/inward/record.url?scp=0033050906&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0033050906&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0033050906

VL - 84

SP - 214

EP - 220

JO - American Mineralogist

JF - American Mineralogist

SN - 0003-004X

IS - 3

ER -