# Formation of two distinct intermediate-range orders in P                    <sub>2</sub>                    O                    <sub>5</sub>                    glass revealed through the combination of diffraction, modelling, and topological analysis

https://mdr.nims.go.jp/datasets/1c50b3d3-9750-4d76-b9bb-fe7146f650c0

## File

- [art_p2o5_glass_20260809.docx](https://mdr.nims.go.jp/filesets/482f27b4-951f-4481-b252-e0f985d65a35/download) ([Detail](https://mdr.nims.go.jp/filesets/482f27b4-951f-4481-b252-e0f985d65a35.md))

## Id

1c50b3d3-9750-4d76-b9bb-fe7146f650c0

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2026-10-07T04:56:33.106966Z

## Updated at

2026-10-07T05:03:33.979128Z

## Published at

2026-10-07T23:27:20.901608Z

## Doi

https://doi.org/10.48505/nims.8647

## First published url

https://doi.org/10.1039/d6ma00454g

## Date published

2026-09-10

## Recorded date published

2026-10-5

## Resource type

journal_article

## Manuscript type

accepted_manuscript

## Collection



## Title

- title: |-
    Formation of two distinct intermediate-range orders in P
                        <sub>2</sub>
                        O
                        <sub>5</sub>
                        glass revealed through the combination of diffraction, modelling, and topological analysis
  title_type: original
  lang: en

## Description

- description: Phosphorus pentoxide (P2O5) is a representative network-forming oxide
    composed of Q3 tetrahedral motifs, in which each phosphorus atom is bonded to
    three bridging oxygens (BOs) and one non-bridging oxygen (NBO). To elucidate the
    intermediate-range order in P2O5 glass associated with diffraction peaks observed
    in neutron and X-ray data, we constructed a three-dimensional structure model
    that reproduces the experimental data accurately using a combination of reverse
    Monte Carlo and classical molecular dynamics simulations. Analysis of Faber–Ziman
    and Bhatia–Thornton partial structure factors reveals that the three diffraction
    peaks observed in the neutron structure factor consist of a doublet first sharp
    diffraction peak (FSDP) and a single principal peak. Ring size distributions show
    that P2O5 glass exhibits a broader distribution than SiO2 glass with Q4 tetrahedral
    motifs, reflecting the presence of large rings associated with the Q3 network.
    Furthermore, the lower-Q FSDP (FSDP1) originates from periodic correlations in
    the P–BO network formed by the linkage of large rings, whereas the higher-Q FSDP
    (FSDP2) arises from shorter-range correlations associated with the formation of
    atomic arrangement of P and NBO atoms within these large rings. These results
    demonstrate the coexistence of two distinct intermediate-range orders with different
    characteristic length scales in P2O5 glass, providing a comprehensive topological
    understanding of its unique network structure.
  description_type: abstract
  lang: und

## Creator

- name: Yohei Onodera
  role: author
  orcid: https://orcid.org/0000-0002-3080-6991
- name: Hirokazu Masai
  role: author
  orcid: https://orcid.org/0000-0003-2310-733X
- name: Shinji Kohara
  role: author
  orcid: https://orcid.org/0000-0001-9596-2680

## Contact agent



## Publisher

organization: Royal Society of Chemistry (RSC)

## Managing organization



## Keyword

- subject: oxide glass
  schema: not_defined
- subject: diffraction
  schema: not_defined
- subject: reverse Monte Carlo modeling
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: Materials Advances
  issn: '26335409'
  volume: '7'
  issue: '19'
  start_page: 9631
  end_page: 9639

## Conference



## Related item



## Funding

- identifier: 19K05648
  funder_name: Japan Society for the Promotion of Science
- identifier: 20H05878
  funder_name: Japan Society for the Promotion of Science
- identifier: 20H05881
  funder_name: Japan Society for the Promotion of Science
- identifier: 20H05882
  funder_name: Japan Society for the Promotion of Science
- identifier: Grant-in-Aid for Transformative Research Areas (A)
  funder_name: Japan Society for the Promotion of Science

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## Measurement method



## Specimen



## Chemical composition



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## Fileset

- id: 482f27b4-951f-4481-b252-e0f985d65a35
  filename: art_p2o5_glass_20260809.docx
  content_type: application/vnd.openxmlformats-officedocument.wordprocessingml.document
  size: 9630898
  md5: 627ec8974b108cf0218232c12b5f769d

## Thumbnail

fileset_id: 482f27b4-951f-4481-b252-e0f985d65a35
filename: art_p2o5_glass_20260809.docx