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OH defects in mantle minerals: A study using advanced NMR spectroscopy and first-principles calculation

Research Project

Project/Area Number 17H01174
Research Category

Grant-in-Aid for Scientific Research (A)

Allocation TypeSingle-year Grants
Section一般
Research Field Petrology/Mineralogy/Economic geology
Research InstitutionOkayama University

Principal Investigator

Xue Xianyu  岡山大学, 惑星物質研究所, 教授 (70362986)

Co-Investigator(Kenkyū-buntansha) 神崎 正美  岡山大学, 惑星物質研究所, 教授 (90234153)
Project Period (FY) 2017-04-01 – 2021-03-31
Project Status Completed (Fiscal Year 2020)
Budget Amount *help
¥46,800,000 (Direct Cost: ¥36,000,000、Indirect Cost: ¥10,800,000)
Fiscal Year 2020: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
Fiscal Year 2019: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
Fiscal Year 2018: ¥2,600,000 (Direct Cost: ¥2,000,000、Indirect Cost: ¥600,000)
Fiscal Year 2017: ¥39,000,000 (Direct Cost: ¥30,000,000、Indirect Cost: ¥9,000,000)
Keywords鉱物構造 / 分光法 / 水 / 高圧 / 欠陥
Outline of Final Research Achievements

Water may be present in nominally anhydrous mantle minerals in the form of OH defects, affecting the structure and dynamics of the Earth’s mantle. Thus, it is important to clarify how water is incorporated in such minerals. In this study, we have used a combined approach of NMR spectroscopy, first-principles calculation, etc. on a number of mantle minerals (enstatite, grossular, pyrope, ringwoodite, etc.), either synthesized at high pressure and high temperature or natural samples, and have revealed new insights into the incorporation mechanisms of OH defects in these minerals.
In addition, we have also carried out a comparative study on Zn silicate system in an attempt to understand how the behaviors of hydrogen in high-pressure minerals vary with cation type. We have found a new high-pressure hydrous Zn silicate phase (Zn-phase A) and have determined its crystal structure.

Academic Significance and Societal Importance of the Research Achievements

本研究により、赤外分光法などを用いた先行研究を補って、水の主要な「無水」マントル鉱物におけるOH欠陥の存在様式並びにその鉱物構造や圧力依存性を明らかにした。また、一部の鉱物については、一部の水素は強い水素結合を示し、よく用いられる赤外分光法では検出されていなかった可能性を示唆し、NMR分光法による解明の有用性を証明した。また、本研究による構造知見は、マントルの物性(電気伝導度、元素の拡散率など)並びにダイナミクスを理解するための基盤を提供した。また、亜鉛珪酸塩系に関する比較的研究は、水素の振る舞いのカチオン依存性に関する結晶化学的知見を提供した。

Report

(5 results)
  • 2020 Annual Research Report   Final Research Report ( PDF )
  • 2019 Annual Research Report
  • 2018 Annual Research Report
  • 2017 Annual Research Report
  • Research Products

    (29 results)

All 2021 2020 2019 2018 2017 Other

All Int'l Joint Research (2 results) Journal Article (12 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 12 results,  Open Access: 10 results) Presentation (15 results) (of which Int'l Joint Research: 8 results,  Invited: 3 results)

  • [Int'l Joint Research] Universit Salzburg(オーストリア)

    • Related Report
      2018 Annual Research Report
  • [Int'l Joint Research] University Salzburg(Austria)

    • Related Report
      2017 Annual Research Report
  • [Journal Article] Crystal structure of Ca(Fe<sub>0.4</sub>Si<sub>0.6</sub>)O<sub>2.8</sub> oxygen-deficient perovskite2020

    • Author(s)
      Kanzaki, M.
    • Journal Title

      Journal of the Ceramic Society of Japan

      Volume: 128 Issue: 10 Pages: 843-846

    • DOI

      10.2109/jcersj2.20138

    • NAID

      130007921320

    • ISSN
      1348-6535, 1882-0743
    • Year and Date
      2020-10-01
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Comment on "Towards the reconciliation of viscosity change and CO2-induced polymerization in silicate melts” by Yann Morizeta, Michael Paris, David Sifre, Ida Di Carlo, Sandra Ory, and Fabrice Gaillard [Chemical Geology 458 (2017) 38-47]2020

    • Author(s)
      Xianyu Xue
    • Journal Title

      Chemical Geology

      Volume: in press Pages: 119675-119675

    • DOI

      10.1016/j.chemgeo.2020.119675

    • Related Report
      2020 Annual Research Report 2019 Annual Research Report
    • Peer Reviewed
  • [Journal Article] CO<sub>2</sub> distribution in CO<sub>2</sub>–rich melanophlogite from Fortunillo, Tuscany, Italy2020

    • Author(s)
      Kanzaki, M.
    • Journal Title

      Journal of Mineralogical and Petrological Sciences

      Volume: 115 Issue: 6 Pages: 471-478

    • DOI

      10.2465/jmps.200611

    • NAID

      130007961765

    • ISSN
      1345-6296, 1349-3825
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Phase transitions of tridymite MC: A low frequency Raman spectroscopic study2020

    • Author(s)
      Kanzaki, M.
    • Journal Title

      Journal of Mineralogical and Petrological Sciences

      Volume: 115 Issue: 3 Pages: 296-301

    • DOI

      10.2465/jmps.191122b

    • NAID

      130007863949

    • ISSN
      1345-6296, 1349-3825
    • Related Report
      2020 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Phase transitions of tridymite MC: A low frequency Raman spectroscopic study2020

    • Author(s)
      Kanzaki, M.
    • Journal Title

      J. Mineral. Petrol. Sci.

      Volume: accepted

    • NAID

      130007863949

    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Raman spectra of tridymite modifications: MC, MX–1, and PO–102019

    • Author(s)
      Kanzaki, M.
    • Journal Title

      Journal of Mineralogical and Petrological Sciences

      Volume: 114 Issue: 4 Pages: 214-218

    • DOI

      10.2465/jmps.190414

    • NAID

      130007719445

    • ISSN
      1345-6296, 1349-3825
    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] High–temperature Raman spectroscopic study of CO<sub>2</sub>–containing melanophlogite2019

    • Author(s)
      Kanzaki, M.
    • Journal Title

      Journal of Mineralogical and Petrological Sciences

      Volume: 114 Issue: 3 Pages: 122-129

    • DOI

      10.2465/jmps.180912

    • NAID

      130007677824

    • ISSN
      1345-6296, 1349-3825
    • Related Report
      2019 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Carbonate speciation in depolymerized and polymerized (alumino) silicate glasses: Constraints from 13C MAS and static NMR measurements and ab initio calculation2018

    • Author(s)
      Xue, X., Kanzaki, M., Floury, P., Tobase, T. and Eguchi, J.
    • Journal Title

      Chemical Geology

      Volume: 479 Pages: 151-165

    • DOI

      10.1016/j.chemgeo.2018.01.005

    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Int'l Joint Research
  • [Journal Article] Crystal structures of Zn<sub>2</sub>GeO<sub>4</sub> cubic/tetragonal spinel and Zn<sub>2</sub>SiO<sub>4</sub> modified spinel phases2018

    • Author(s)
      Kanzaki, M.
    • Journal Title

      Journal of Mineralogical and Petrological Sciences

      Volume: 113 Issue: 1 Pages: 41-46

    • DOI

      10.2465/jmps.170617

    • NAID

      130006407105

    • ISSN
      1345-6296, 1349-3825
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Temperature–induced phase transition of AlPO<sub>4</sub>–moganite studied by in–situ Raman spectroscopy2018

    • Author(s)
      Kanzaki, M.
    • Journal Title

      Journal of Mineralogical and Petrological Sciences

      Volume: 113 Issue: 3 Pages: 126-134

    • DOI

      10.2465/jmps.171219

    • NAID

      130007403355

    • ISSN
      1345-6296, 1349-3825
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Pressure–induced phase transitions of Zn<sub>2</sub>SiO<sub>4</sub> III and IV studied using in–situ Raman spectroscopy2018

    • Author(s)
      Kanzaki, M.
    • Journal Title

      Journal of Mineralogical and Petrological Sciences

      Volume: 113 Issue: 5 Pages: 263-267

    • DOI

      10.2465/jmps.180409

    • NAID

      130007506141

    • ISSN
      1345-6296, 1349-3825
    • Related Report
      2018 Annual Research Report
    • Peer Reviewed / Open Access
  • [Journal Article] Protoenstatite in MgSiO<sub>3</sub> samples prepared by conventional solid state reaction2017

    • Author(s)
      Kanzaki, M., Xue, X.
    • Journal Title

      Journal of Mineralogical and Petrological Sciences

      Volume: 112 Issue: 6 Pages: 359-364

    • DOI

      10.2465/jmps.170616

    • NAID

      130006287866

    • ISSN
      1345-6296, 1349-3825
    • Related Report
      2017 Annual Research Report
    • Peer Reviewed / Open Access
  • [Presentation] Wulfingite (Zn(OH)2)の圧力誘起相転移:ラマン分光法と第一原理計算による研究2021

    • Author(s)
      Masami Kanzaki, Guan Longli, Wang Ran
    • Organizer
      JpGU2021
    • Related Report
      2020 Annual Research Report
  • [Presentation] Synthesis and structural characterization of a new zinc silicate phase A (Zn7Si2O8(OH)6 by 1H and 29Si NMR and powder X-ray diffraction2020

    • Author(s)
      Xianyu Xue, Masami Kanzaki, Jianjun Jiang
    • Organizer
      JpGU-AGU Joint Meeting 2020 (virtual)
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Baを取り込んだカルサイト中の炭酸イオンの挙動2020

    • Author(s)
      丸形詩歩、鍵裕之、小松一生、斉藤綾花、薛献宇、 杉山和正
    • Organizer
      日本地球化学会オンライン年会
    • Related Report
      2020 Annual Research Report
  • [Presentation] ホットプレートと偏光シートを使った硝酸アンモニウムの相転移観察2020

    • Author(s)
      神崎 正美
    • Organizer
      JpGU-AGU Joint Meeting 2020 (virtual)
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Pressure-induced structural changes in hemimorphite and dehydrated hemimorphite: first-principles calculation2020

    • Author(s)
      Masami Kanzaki
    • Organizer
      JpGU-AGU Joint Meeting 2020 (virtual)
    • Related Report
      2020 Annual Research Report
    • Int'l Joint Research
  • [Presentation] CO2に富むメラノフロジャイト構造中のCO2分布について2020

    • Author(s)
      神崎 正美
    • Organizer
      日本鉱物科学会オンライン年会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 光ファイバーを使ったピストンシリンダー 高圧装置のその場圧力測定法2020

    • Author(s)
      神崎 正美
    • Organizer
      日本鉱物科学会オンライン年会
    • Related Report
      2020 Annual Research Report
  • [Presentation] 光ファイバーを使ったピストンシリンダー 高圧装置の圧力測定法2020

    • Author(s)
      神崎 正美
    • Organizer
      第61回高圧討論会オンライン会議
    • Related Report
      2020 Annual Research Report
  • [Presentation] Synthesis and structural characterization of a new zinc silicate phase A (Zn7Si2O8(OH)6) by 1H and 29Si NMR and powder X-ray diffraction2020

    • Author(s)
      Xianyu Xue, Masami Kanzaki, Jianjun Jiang
    • Organizer
      JpGU-AGU Joint Meeting 2020
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research
  • [Presentation] Hydrogen defects in high-pressure crystalline silicates: Insights from NMR spectroscopy2019

    • Author(s)
      Xianyu XUE, Masami KANZAKI
    • Organizer
      14th International Conference on the Structure of Non-Crystalline Materials
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Dissolution mechanisms of H2O and CO2 in silicate melts (glasses): Insight from NMR spectroscopy2019

    • Author(s)
      Xianyu XUE, Masami KANZAKI
    • Organizer
      The 36th International Japan-Korea Seminar on Ceramics (J-K Ceramics 36)
    • Related Report
      2019 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Hydrogen incorporation mechanisms in enstatite2018

    • Author(s)
      Xianyu Xue, Masami Kanzaki and Jianjun Jiang
    • Organizer
      JpGU Meeting 2018
    • Related Report
      2018 Annual Research Report
  • [Presentation] Dissolution mechanisms of H2O and CO2 in silicate melts (glasses): information from NMR spectroscopy2018

    • Author(s)
      Xianyu Xue and Masami Kanzaki
    • Organizer
      ICG Annual Meeting 2018
    • Related Report
      2018 Annual Research Report
    • Int'l Joint Research / Invited
  • [Presentation] Hydrogen incorporation mechanisms in enstatite2018

    • Author(s)
      Xianyu Xue, Masami Kanzaki and Jianjun Jiang
    • Organizer
      JpGU2018
    • Related Report
      2017 Annual Research Report
  • [Presentation] Hydrogen incorporation mechanism in synthetic katoite-grossular and natural grossular: 1H static and MAS NMR and first-principles calculation2017

    • Author(s)
      Xue X., Kanzaki M. & Geiger, C.A.
    • Organizer
      Goldschmidt 2017
    • Related Report
      2017 Annual Research Report
    • Int'l Joint Research

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Published: 2017-04-28   Modified: 2022-01-27  

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