# Cation distribution and diffusion-path topologies of A-site-deficient perovskite Li<i><sub>x</sub></i>La<sub>(1−</sub><i><sub>x</sub></i><sub>)/3</sub>NbO<sub>3</sub>

https://mdr.nims.go.jp/datasets/f00b2269-0168-45ac-93aa-5ea883e90fbe

## File

- [134_25074.pdf](https://mdr.nims.go.jp/filesets/e10e2979-66aa-43e9-9fa9-68e8ba364133/download) ([Detail](https://mdr.nims.go.jp/filesets/e10e2979-66aa-43e9-9fa9-68e8ba364133.md))

## Id

f00b2269-0168-45ac-93aa-5ea883e90fbe

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2026-04-02T00:30:20.426499Z

## Updated at

2026-04-03T00:42:46.252648Z

## Published at

2026-04-03T03:26:46.846327Z

## Doi



## First published url

https://doi.org/10.2109/jcersj2.25074

## Date published

2026-04-01

## Recorded date published

2026

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Cation distribution and diffusion-path topologies of A-site-deficient perovskite
    Li<i><sub>x</sub></i>La<sub>(1−</sub><i><sub>x</sub></i><sub>)/3</sub>NbO<sub>3</sub>
  title_type: original
  lang: en

## Description

- description: LixLa(1–x)/3NbO3 with an A-site-deficient perovskite structure was
    investigated with a focus on the relationship between its atomic configuration
    and Li+ diffusion properties. To this end, total scattering (diffraction) measurements
    were performed, and then reverse Monte Carlo modeling using the data was employed
    to construct the atomic configuration. The results suggest that the local structure
    around La in the La-poor layer is suitable for Li+ diffusion across the layer.
    Furthermore, topology analyses conducted via persistent homology using the constructed
    atomic configuration indicate that a large fourfold ring formed by Nb and O is
    one of the reasons for superior Li+ diffusion in LixLa(1–x)/3NbO3.
  description_type: abstract
  lang: und

## Creator

- name: Naoto Kitamura
  role: author
- name: Yizhong Tang
  role: author
- name: Koji Kimura
  role: author
- name: Ippei Obayashi
  role: author
- name: Yohei Onodera
  role: author
  orcid: https://orcid.org/0000-0002-3080-6991
  organization: National Institute for Materials Science
- name: Ken Nakashima
  role: author
- name: Chiaki Ishibashi
  role: author
- name: Yasushi Idemoto
  role: author
- name: Koichi Hayashi
  role: author

## Contact agent



## Publisher

organization: Ceramic Society of Japan

## Managing organization



## Keyword

- subject: Local structure
  schema: not_defined
- subject: A-site-deficient perovskite
  schema: not_defined
- subject: Li+ conduction
  schema: not_defined
- subject: Total scattering
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: Journal of the Ceramic Society of Japan
  issn: '13486535'
  volume: '134'
  issue: '4'
  start_page: 225
  end_page: 231
  article_number: '25074'

## Conference



## Related item



## Funding

- identifier: 20H05881
  funder_name: JSPS
  description: "Grants-in-Aid for Transformative Research Areas\r\n(A) “Hyper-Ordered
    Structures 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: e10e2979-66aa-43e9-9fa9-68e8ba364133
  filename: 134_25074.pdf
  content_type: application/pdf
  size: 2896551
  md5: 17d71e9202ce2301de41d0a0d17f5c56

## Thumbnail

fileset_id: e10e2979-66aa-43e9-9fa9-68e8ba364133
filename: 134_25074.pdf