Spin transition, substitution, and partitioning of iron in lower mantle minerals

Kiyoshi Fujino; Daisuke Nishio-Hamane; Takaya Nagai; Yusuke Seto; Yasuhiro Kuwayama; Matthew Whitaker; Hiroaki Ohfuji; Toru Shinmei; Tetsuo Irifune

doi:10.1016/j.pepi.2013.12.008

Spin transition, substitution, and partitioning of iron in lower mantle minerals

Kiyoshi Fujino
, Daisuke Nishio-Hamane
, Takaya Nagai
, Yusuke Seto
, Yasuhiro Kuwayama
, Matthew Whitaker
, Hiroaki Ohfuji
, Toru Shinmei
, Tetsuo Irifune

Mineral Physics Institute

Ehime University
The University of Tokyo
Hokkaido University
Kobe University
Institute of Science Tokyo

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

16 Scopus citations

Abstract

Spin transition and substitution of Fe³⁺ in Fe³⁺AlO₃-bearing MgSiO₃ perovskite (Pv) and post-perovskite (PPv) were examined up to 200 and 165GPa, respectively, at room temperature by X-ray emission spectroscopy (XES) and XRD. The results of XES and XRD indicate that in Pv high spin (HS) Fe³⁺ at the dodecahedral (A) site replaces Al at the octahedral (B) site and becomes low spin (LS) between 50 and 70GPa with pressure, while in PPv LS Fe³⁺ occupies the B-site and Al occupies the A-site above 80-100GPa. The Fe³⁺-Al coupled substitution seems to be at work in both Pv and PPv. Combining these results on Fe³⁺ with the recent first-principles calculations on Fe²⁺ in Pv and PPv, the spin transition and substitution of iron in pyrolitic lower mantle minerals are proposed. Further, their effects on iron-partitioning among the lower mantle minerals are discussed.

Original language	English
Pages (from-to)	186-191
Number of pages	6
Journal	Physics of the Earth and Planetary Interiors
Volume	228
DOIs	https://doi.org/10.1016/j.pepi.2013.12.008
State	Published - Mar 2014

Keywords

Iron-partitioning
Lower mantle
Mg-perovskite
Post-Mg-perovskite
Spin transition of iron

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10.1016/j.pepi.2013.12.008

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title = "Spin transition, substitution, and partitioning of iron in lower mantle minerals",

abstract = "Spin transition and substitution of Fe3+ in Fe3+AlO3-bearing MgSiO3 perovskite (Pv) and post-perovskite (PPv) were examined up to 200 and 165GPa, respectively, at room temperature by X-ray emission spectroscopy (XES) and XRD. The results of XES and XRD indicate that in Pv high spin (HS) Fe3+ at the dodecahedral (A) site replaces Al at the octahedral (B) site and becomes low spin (LS) between 50 and 70GPa with pressure, while in PPv LS Fe3+ occupies the B-site and Al occupies the A-site above 80-100GPa. The Fe3+-Al coupled substitution seems to be at work in both Pv and PPv. Combining these results on Fe3+ with the recent first-principles calculations on Fe2+ in Pv and PPv, the spin transition and substitution of iron in pyrolitic lower mantle minerals are proposed. Further, their effects on iron-partitioning among the lower mantle minerals are discussed.",

keywords = "Iron-partitioning, Lower mantle, Mg-perovskite, Post-Mg-perovskite, Spin transition of iron",

author = "Kiyoshi Fujino and Daisuke Nishio-Hamane and Takaya Nagai and Yusuke Seto and Yasuhiro Kuwayama and Matthew Whitaker and Hiroaki Ohfuji and Toru Shinmei and Tetsuo Irifune",

year = "2014",

month = mar,

doi = "10.1016/j.pepi.2013.12.008",

language = "English",

volume = "228",

pages = "186--191",

journal = "Physics of the Earth and Planetary Interiors",

issn = "0031-9201",

}

TY - JOUR

T1 - Spin transition, substitution, and partitioning of iron in lower mantle minerals

AU - Fujino, Kiyoshi

AU - Nishio-Hamane, Daisuke

AU - Nagai, Takaya

AU - Seto, Yusuke

AU - Kuwayama, Yasuhiro

AU - Whitaker, Matthew

AU - Ohfuji, Hiroaki

AU - Shinmei, Toru

AU - Irifune, Tetsuo

PY - 2014/3

Y1 - 2014/3

N2 - Spin transition and substitution of Fe3+ in Fe3+AlO3-bearing MgSiO3 perovskite (Pv) and post-perovskite (PPv) were examined up to 200 and 165GPa, respectively, at room temperature by X-ray emission spectroscopy (XES) and XRD. The results of XES and XRD indicate that in Pv high spin (HS) Fe3+ at the dodecahedral (A) site replaces Al at the octahedral (B) site and becomes low spin (LS) between 50 and 70GPa with pressure, while in PPv LS Fe3+ occupies the B-site and Al occupies the A-site above 80-100GPa. The Fe3+-Al coupled substitution seems to be at work in both Pv and PPv. Combining these results on Fe3+ with the recent first-principles calculations on Fe2+ in Pv and PPv, the spin transition and substitution of iron in pyrolitic lower mantle minerals are proposed. Further, their effects on iron-partitioning among the lower mantle minerals are discussed.

AB - Spin transition and substitution of Fe3+ in Fe3+AlO3-bearing MgSiO3 perovskite (Pv) and post-perovskite (PPv) were examined up to 200 and 165GPa, respectively, at room temperature by X-ray emission spectroscopy (XES) and XRD. The results of XES and XRD indicate that in Pv high spin (HS) Fe3+ at the dodecahedral (A) site replaces Al at the octahedral (B) site and becomes low spin (LS) between 50 and 70GPa with pressure, while in PPv LS Fe3+ occupies the B-site and Al occupies the A-site above 80-100GPa. The Fe3+-Al coupled substitution seems to be at work in both Pv and PPv. Combining these results on Fe3+ with the recent first-principles calculations on Fe2+ in Pv and PPv, the spin transition and substitution of iron in pyrolitic lower mantle minerals are proposed. Further, their effects on iron-partitioning among the lower mantle minerals are discussed.

KW - Iron-partitioning

KW - Lower mantle

KW - Mg-perovskite

KW - Post-Mg-perovskite

KW - Spin transition of iron

UR - https://www.scopus.com/pages/publications/84897066052

U2 - 10.1016/j.pepi.2013.12.008

DO - 10.1016/j.pepi.2013.12.008

M3 - Article

AN - SCOPUS:84897066052

SN - 0031-9201

VL - 228

SP - 186

EP - 191

JO - Physics of the Earth and Planetary Interiors

JF - Physics of the Earth and Planetary Interiors

ER -

Spin transition, substitution, and partitioning of iron in lower mantle minerals

Abstract

Keywords

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