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Hidden chemical order in disordered Ba7Nb4MoO20 revealed by resonant X-ray diffraction and solid-state NMR

Author

Listed:
  • Yuta Yasui

    (School of Science, Tokyo Institute of Technology)

  • Masataka Tansho

    (NMR Station, National Institute for Materials Science (NIMS))

  • Kotaro Fujii

    (School of Science, Tokyo Institute of Technology)

  • Yuichi Sakuda

    (School of Science, Tokyo Institute of Technology)

  • Atsushi Goto

    (NMR Station, National Institute for Materials Science (NIMS))

  • Shinobu Ohki

    (NMR Station, National Institute for Materials Science (NIMS))

  • Yuuki Mogami

    (NMR Station, National Institute for Materials Science (NIMS))

  • Takahiro Iijima

    (Yamagata University)

  • Shintaro Kobayashi

    (Japan Synchrotron Radiation Research Institute (JASRI))

  • Shogo Kawaguchi

    (Japan Synchrotron Radiation Research Institute (JASRI))

  • Keiichi Osaka

    (Industrial Application and Partnership Division, Japan Synchrotron Radiation Research Institute (JASRI))

  • Kazutaka Ikeda

    (Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK)
    J-PARC Center, High Energy Accelerator Research Organization (KEK)
    The Graduate University for Advanced Studies)

  • Toshiya Otomo

    (Institute of Materials Structure Science, High Energy Accelerator Research Organization (KEK)
    J-PARC Center, High Energy Accelerator Research Organization (KEK)
    The Graduate University for Advanced Studies
    Ibaraki University)

  • Masatomo Yashima

    (School of Science, Tokyo Institute of Technology)

Abstract

The chemical order and disorder of solids have a decisive influence on the material properties. There are numerous materials exhibiting chemical order/disorder of atoms with similar X-ray atomic scattering factors and similar neutron scattering lengths. It is difficult to investigate such order/disorder hidden in the data obtained from conventional diffraction methods. Herein, we quantitatively determined the Mo/Nb order in the high ion conductor Ba7Nb4MoO20 by a technique combining resonant X-ray diffraction, solid-state nuclear magnetic resonance (NMR) and first-principle calculations. NMR provided direct evidence that Mo atoms occupy only the M2 site near the intrinsically oxygen-deficient ion-conducting layer. Resonant X-ray diffraction determined the occupancy factors of Mo atoms at the M2 and other sites to be 0.50 and 0.00, respectively. These findings provide a basis for the development of ion conductors. This combined technique would open a new avenue for in-depth investigation of the hidden chemical order/disorder in materials.

Suggested Citation

  • Yuta Yasui & Masataka Tansho & Kotaro Fujii & Yuichi Sakuda & Atsushi Goto & Shinobu Ohki & Yuuki Mogami & Takahiro Iijima & Shintaro Kobayashi & Shogo Kawaguchi & Keiichi Osaka & Kazutaka Ikeda & Tos, 2023. "Hidden chemical order in disordered Ba7Nb4MoO20 revealed by resonant X-ray diffraction and solid-state NMR," Nature Communications, Nature, vol. 14(1), pages 1-10, December.
    • Handle: RePEc:nat:natcom:v:14:y:2023:i:1:d:10.1038_s41467-023-37802-4
    DOI: 10.1038/s41467-023-37802-4
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    References listed on IDEAS

    as
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