# New Structural Distortions in Osmate Perovskite Na1–xKxOsO3 Synthesized under High Pressure

https://mdr.nims.go.jp/datasets/45840ef2-d481-4542-8e49-1652223cf74a

## File

- [KNaOsO3_manuscript-May 3 2024.docx](https://mdr.nims.go.jp/filesets/58d1dc64-514f-48c5-b011-758ed14ecd2e/download) ([Detail](https://mdr.nims.go.jp/filesets/58d1dc64-514f-48c5-b011-758ed14ecd2e.md))

## Id

45840ef2-d481-4542-8e49-1652223cf74a

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2024-05-11T05:20:01.080840Z

## Updated at

2025-05-15T23:30:25.338344Z

## Published at

2025-05-15T23:20:27.742708Z

## Doi

https://doi.org/10.48505/nims.4520

## First published url

https://pubs.acs.org/doi/10.1021/acs.chemmater.4c00568

## Date published

2024-05-16

## Recorded date published



## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: New Structural Distortions in Osmate Perovskite Na1–xKxOsO3 Synthesized under
    High Pressure
  title_type: original
  lang: en

## Description

- description: Most ABO3 oxides crystalize in the perovskite structure. In responding
    to the degree of bonding mismatch of A-O versus B-O in the structure, the perovskite
    can adopt a total of 15 tilting systems of BO6 octahedra. Depending on the charge
    configurations, i.e. A3+B3+O3, A2+B4+O3, and A1+B5+O3, these complex oxides undergo
    distinct pathways within the tilting systems as the bond-length mismatch is changed
    by either the chemical substitution or temperature or pressure. The report of
    orthorhombic NaOsO3 and the newly synthesized nearly cubic KOsO3 lead to an opportunity
    for studying the structural distortions in A1+B5+O3 which has only been studied
    in the d0 systems of AMO3 (A = alkaline, M = Nb, Ta). Here we report the new structural
    sequence from a cubic perovskite phase to distorted phases as temperature decreases
    in the solid solution of Na1-xKxOsO3 by synchrotron X-ray powder diffraction;
    these distorted phases do not belong to the 15 tilting systems. In comparison
    with the distorted perovskite phases found in the d0 systems of A1+B5+O3 perovskites,
    the phase transitions with decreasing temperature found in Na1-xKxOsO3 are likely
    caused by the instabilities of their electronic structures.
  description_type: abstract
  lang: eng

## Creator

- name: Jie Chen
  role: author
  organization: The University of Texas at Austin
- name: Alexei A. Belik
  role: author
  orcid: https://orcid.org/0000-0001-9031-2355
  organization: National Institute for Materials Science
  department: Research Center for Materials Nanoarchitectonics (MANA)/Quantum Materials
    Field/Quantum Solid State Materials Group
  ror: https://ror.org/026v1ze26
- name: Kazunari Yamaura
  role: author
  orcid: https://orcid.org/0000-0003-0390-8244
  organization: National Institute for Materials Science
  department: Research Center for Materials Nanoarchitectonics (MANA)/Quantum Materials
    Field/Quantum Solid State Materials Group
  ror: https://ror.org/026v1ze26
- name: Jianshi Zhou
  role: author
  organization: The University of Texas at Austin

## Contact agent



## Publisher

organization: American Chemical Society

## Managing organization



## Keyword

- subject: KOsO3
  schema: not_defined
- subject: Osmate
  schema: not_defined
- subject: Perovskite
  schema: not_defined

## Rights

- description: This document is the Accepted Manuscript version of a Published Work
    that appeared in final form in Chemistry of Materials, copyright © 2024 American
    Chemical Society after peer review and technical editing by the publisher. To
    access the final edited and published work see https://doi.org/10.1021/acs.chemmater.4c00568.
  identifier: http://rightsstatements.org/vocab/InC/1.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo

start_date: 2024-05-16
end_date: 2025-05-16

## Journal

- title: CHEMISTRY OF MATERIALS
  issn: '15205002'

## Conference



## Related item



## Funding

- identifier: DMR-2308817
  funder_name: National Science Foundation
- identifier: JP22H04601
  funder_name: Japan Society for the Promotion of Science
- identifier: 2022-11
  funder_name: Kazuchika Okura Memorial Foundation

## Instrument



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## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



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## Fileset

- id: 58d1dc64-514f-48c5-b011-758ed14ecd2e
  filename: KNaOsO3_manuscript-May 3 2024.docx
  content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document
  size: 2911093
  md5: e91a6fd5a1a2ceb9e1dffc78f939bbe2

## Thumbnail

fileset_id: 58d1dc64-514f-48c5-b011-758ed14ecd2e
filename: KNaOsO3_manuscript-May 3 2024.docx