論文

査読有り
2018年2月1日

Determination of hydrogen site and occupancy in hydrous Mg2SiO4 spinel by single-crystal neutron diffraction:

Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
  • Narangoo Purevjav
  • ,
  • Takuo Okuchi
  • ,
  • Xiaoping Wang
  • ,
  • Christina Hoffmann
  • ,
  • Naotaka Tomioka

74
1
開始ページ
115
終了ページ
120
記述言語
英語
掲載種別
研究論文(学術雑誌)
DOI
10.1107/S2052520618000616
出版者・発行元
Wiley-Blackwell

Ringwoodite [(Mg,Fe2+)2SiO4 spinel] has been considered as one of the most important host minerals of water in the Earth's deep mantle. Its extensive hydration was observed in high-pressure synthesis experiments and also by its natural occurrence. Water can dissolve into ringwoodite as structurally bound hydrogen cations by substituting other cations, although the hydrogen site and its occupancy remain unclear. In this study, neutron time-of-flight single-crystal Laue diffraction analysis was carried out for synthetic hydrous ringwoodite. Hydrogen cations were found only in the sites in MgO6 octahedra in the ringwoodite structure, which compensated the reduced occupancies of both magnesium and silicon cations. The refined cation occupancies suggest that the most plausible hydration mechanism is that three hydrogen cations simultaneously occupy an MgO6 octahedron, whereas four such hydrogenated octahedra surround a vacant SiO4 tetrahedron.A single-crystal neutron diffraction study was performed on hydrogen incorporation in ringwoodite, which is the most important host mineral of water in the Earth's deep mantle. Its hydrogen incorporation mechanism, bonding geometry and occupancy at the relevant hydrogen site were unambiguously revealed.

リンク情報
DOI
https://doi.org/10.1107/S2052520618000616
URL
http://orcid.org/0000-0001-6907-0945
ID情報
  • DOI : 10.1107/S2052520618000616
  • ISSN : 2052-5206
  • ISSN : 2052-5192
  • ORCIDのPut Code : 41211808
  • SCOPUS ID : 85041669023

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