# Unraveling the structural complexity of niobate units in aluminosilicate glasses and glass–ceramics

https://mdr.nims.go.jp/datasets/92b47dd8-177d-45ec-b343-be441dadb8bc

## File

- [d5ma00082c.pdf](https://mdr.nims.go.jp/filesets/bf63317f-4aac-483e-8b71-0655b34531e9/download) ([Detail](https://mdr.nims.go.jp/filesets/bf63317f-4aac-483e-8b71-0655b34531e9.md))

## Id

92b47dd8-177d-45ec-b343-be441dadb8bc

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-06-23T02:26:17.601550Z

## Updated at

2025-06-23T07:30:27.033353Z

## Published at

2025-06-23T07:20:57.207670Z

## Doi



## First published url

https://doi.org/10.1039/D5MA00082C

## Date published

2025-04-28

## Recorded date published

2025-6-16

## Resource type

journal_article

## Manuscript type

vor

## Collection



## Title

- title: Unraveling the structural complexity of niobate units in aluminosilicate
    glasses and glass–ceramics
  title_type: original
  lang: en

## Description

- description: "Niobium-containing glasses and glass-ceramics play an important role
    in several technological applications, but our understanding of the structure-property
    relationships of many Nb-containing compositions is still rudimentary. To address
    the current limitations, the present contribution reports data from synchrotron
    high-energy X-ray diffraction data to unravel the structural evolution of niobate
    entities in alkali-aluminosilicate glasses. The data obtained are compared with
    complementary Raman and solid-state NMR spectroscopy data to provide a better
    interpretation of the macroscopic properties of the glasses and their crystallization
    behavior in terms of the glass structure.\r\n  The data show that the incorporation
    of niobium into the glass network (from 0.2 mol% to 10 mol%) causes a rearrangement
    of the units and induces large modifications, particularly in the medium-range
    order. Nb5+ is present in all glasses predominantly in the form of 6-coordinated
    [NbO6] units with rather invariant <Nb–O> bond distances around 2.0 Å. This observation
    correlates well with the 93Nb NMR data showing similarly small changes in the
    chemical shift values. A contrasting scenario is presented when looking beyond
    the first coordination sphere, with a particular focus on the A-Nb (A= alkali)
    and Nb-Nb correlations. Both are strongly dependent on bulk chemistry, which,
    in turn, is influenced by the availability and nature of charge-compensating alkali
    ions. The addition of Nb has a relatively minimal effect on Si and Al units, promoting
    the association of Nb with other Nb species, thereby initiating the formation
    of a subnetwork of [NbO6] units in a corner shared environment. Both alkali species
    and Nb5+ ions in the amorphous state tend to favor a structural arrangement very
    similar to that of the stable crystalline phase."
  description_type: abstract
  lang: und

## Creator

- name: Maria Rita Cicconi
  role: author
  orcid: https://orcid.org/0000-0002-4106-4057
- name: Koji Kimura
  role: author
  orcid: https://orcid.org/0000-0001-5485-3672
- name: Henrik Bradtmüller
  role: author
  orcid: https://orcid.org/0000-0001-7971-2163
- name: Hongyi Deng
  role: author
  orcid: https://orcid.org/0009-0000-8216-433X
- name: Shinji Kohara
  role: author
  orcid: https://orcid.org/0000-0001-9596-2680
- name: Yohei Onodera
  role: author
  orcid: https://orcid.org/0000-0002-3080-6991
- name: Tomokatsu Hayakawa
  role: author
  orcid: https://orcid.org/0000-0003-1817-8854
- name: Seiya Shimono
  role: author
  orcid: https://orcid.org/0000-0003-1608-3296
- name: Koichi Hayashi
  role: author
  orcid: https://orcid.org/0000-0002-8782-4293
- name: Dominique de Ligny
  role: author
  orcid: https://orcid.org/0000-0001-9621-4609

## Contact agent



## Publisher

organization: Royal Society of Chemistry (RSC)

## Managing organization



## Keyword

- subject: glass-ceramics
  schema: not_defined
- subject: high-energy X-ray diffraction
  schema: not_defined
- subject: nuclear magnetic resonance spectroscopy
  schema: not_defined

## Rights

- identifier: cc-by-3.0

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal

- title: Materials Advances
  issn: '26335409'
  volume: '6'
  issue: '12'
  start_page: 3863
  end_page: 3874

## Conference



## Related item



## Funding

- identifier: CI294/2-1
  funder_name: Deutsche Forschungsgemeinschaft
- identifier: GRK2495/2/G
  funder_name: Deutsche Forschungsgemeinschaft
- identifier: 20H05878
  funder_name: Japan Society for the Promotion of Science
- identifier: 20H05881
  funder_name: Japan Society for the Promotion of Science

## Instrument



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## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



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## Computational method



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## Fileset

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  filename: d5ma00082c.pdf
  content_type: application/pdf
  size: 2723152
  md5: 9e4e6ba84723e591ed154dec441cc5de

## Thumbnail

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filename: d5ma00082c.pdf