# Fast lithium-ion diffusion in pyrochlore-type oxyfluoride Li1.25La0.58Nb2O6F

https://mdr.nims.go.jp/datasets/3d284c17-644b-4d42-ba14-b11bc719a3cd

## File

- [1-s2.0-S0167273825001432-main.pdf](https://mdr.nims.go.jp/filesets/6fb95ef9-2476-4b69-8c29-0fd444f19657/download) ([Detail](https://mdr.nims.go.jp/filesets/6fb95ef9-2476-4b69-8c29-0fd444f19657.md))

## Id

3d284c17-644b-4d42-ba14-b11bc719a3cd

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-06-12T02:33:04.057500Z

## Updated at

2025-06-12T07:30:29.752331Z

## Published at

2025-06-12T07:25:29.681019Z

## Doi



## First published url

https://doi.org/10.1016/j.ssi.2025.116924

## Date published

2025-06-07

## Recorded date published

2025-10

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Fast lithium-ion diffusion in pyrochlore-type oxyfluoride Li1.25La0.58Nb2O6F
  title_type: original
  lang: en

## Description

- description: "Fast lithium-ion conductors with oxide frameworks are key materials
    for high performance solidstate rechargeable batteries. This study reveals fast
    Li+ ion diffusion in the recently discovered pyrochlore-type lithium lanthanum
    niobium oxyfluoride, Li2–xLa(1+x)/3□(2x–1)/3Nb2O6F (□ = vacancy), using pulsed-field
    gradient nuclear magnetic resonance (NMR) and impedance measurements. These analyses
    confirm that fast Li+ ion diffusion is the origin of the high ionic conductivity.
    Moreover, 7Li and 19F-NMR data suggest that local disorder at the Li+ ion sites
    facilitate fast diffusion. Chemical shifts of the 19F NMR can be explained by
    the number of La, Li and vacancies around fluorine. The Arrhenius plot exhibits
    a slight bending at approximately 200 K. The thermal expansion coefficient also
    changes from negative to positive at 200 K. These results suggest that Li+ ions
    in pyrochlore-type oxyfluorides undergo an order–disorder phase\r\ntransition.
    The insights provided by this study into the mechanism of fast Li+ ion diffusion
    in pyrochlore-type oxyfluorides pave the way for fabricating solid electrolytes
    with improved performance over conventional solid electrolytes."
  description_type: abstract
  lang: und

## Creator

- name: Naoaki Kuwata
  role: author
  orcid: https://orcid.org/0000-0002-0736-6967
- name: Gen Hasegawa
  role: author
  orcid: https://orcid.org/0000-0002-9297-6902
- name: Sihao Xing
  role: author
- name: Kenjiro Hashi
  role: author
  orcid: https://orcid.org/0000-0002-0320-4768
- name: Yoshitaka Matsushita
  role: author
  orcid: https://orcid.org/0000-0002-4968-8905
- name: Randy Jalem
  role: author
  orcid: https://orcid.org/0000-0001-9505-771X
- name: Kazunori Takada
  role: author
  orcid: https://orcid.org/0000-0001-7568-1806
- name: Hitoshi Onodera
  role: author
- name: Shuhei Yoshida
  role: author

## Contact agent



## Publisher

organization: Elsevier BV

## Managing organization



## Keyword

- subject: Solid-state battery
  schema: not_defined
- subject: Ionic conductor
  schema: not_defined
- subject: Diffusion
  schema: not_defined
- subject: Pyrochlore-type oxyfluoride
  schema: not_defined
- subject: PFG-NMR
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Solid State Ionics
  issn: '01672738'
  volume: '428'
  article_number: '116924'

## Conference



## Related item



## Funding

- identifier: JPMXP1224NM5390
  funder_name: National Institute for Materials Science
- identifier: JPMXP0219207397
  funder_name: Government of Japan Ministry of Education Culture Sports Science and
    Technology
- identifier: 24H02205
  funder_name: Japan Society for the Promotion of Science

## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



## Software



## Custom property



## Fileset

- id: 6fb95ef9-2476-4b69-8c29-0fd444f19657
  filename: 1-s2.0-S0167273825001432-main.pdf
  content_type: application/pdf
  size: 982747
  md5: c435d470225656d898e4e3b5b958d4b9

## Thumbnail

fileset_id: 6fb95ef9-2476-4b69-8c29-0fd444f19657
filename: 1-s2.0-S0167273825001432-main.pdf