# Titanium phosphate glasses: Beyond tetrahedral network structures

https://mdr.nims.go.jp/datasets/2995dda8-73aa-474f-9297-1c2c704af1c6

## File

- [Abstracts_Salmon.pdf](https://mdr.nims.go.jp/filesets/335fff4c-6d6f-4545-bf2a-7033b6357fe1/download) ([Detail](https://mdr.nims.go.jp/filesets/335fff4c-6d6f-4545-bf2a-7033b6357fe1.md))

## Id

2995dda8-73aa-474f-9297-1c2c704af1c6

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2025-09-25T05:52:30.488663Z

## Updated at

2025-09-25T07:30:37.655080Z

## Published at

2025-09-25T07:20:16.611082Z

## Doi

https://doi.org/10.48505/nims.5779

## First published url



## Date published



## Recorded date published



## Resource type

conference_presentation

## Manuscript type

na

## Collection



## Title

- title: 'Titanium phosphate glasses: Beyond tetrahedral network structures'
  title_type: original
  lang: en

## Description

- description: The structure of titanium phosphate glasses (TiO2)x(P2O5)1-x with 0.70
    ≤ x ≤ 0.75 was investigated by combining neutron and high-energy x-ray diffraction
    with solid-state 31P nuclear magnetic resonance (NMR), Raman and electron paramagnetic
    resonance spectroscopy. The results were interpreted with the aid of an analytical
    model that delivers the composition dependence of the structural motifs. The structure
    of these materials was also simulated using ab initio molecular dynamics. 31P
    static NMR spectra show that orthophosphate groups predominate and the diffraction
    results find a Ti-O coordination number of 5.32(7) at x = 0.715 that increases
    to 5.49(7) at x = 0.750. The findings show the prevalence of five- and six-coordinated
    titanium atoms and the coexistence of two-coordinated O(II) and three-coordinated
    O(III) oxygen atoms. The Ti-centred polyhedra contribute towards a network in
    which the orthophosphate groups form P-O(II)-Ti and PO(III)-2Ti connections, with
    signatures that are evident in the 31P magic angle spinning NMR spectra. The results
    suggest that structural variability is a key factor in promoting the vitrification
    of this atypical glass-forming system. The findings will provide a benchmark for
    investigating the structure of other glass-forming materials based on networks
    of higher-coordinated polyhedral units.
  description_type: abstract
  lang: en

## Creator

- name: Esther Girón Lange
  role: author
  organization: University of Bath
  department: Department of Physics
- name: Randall E. Youngman
  role: author
  organization: Corning Incorporated
  department: Science and Technology Division
- name: Bruce G. Aitken
  role: author
  organization: Corning Incorporated
  department: Science and Technology Division
- name: Anita Zeidler
  role: author
  organization: University of Bath
  department: Department of Physics
- name: Kyle T. Hufziger
  role: author
  organization: Corning Incorporated
  department: Science and Technology Division
- name: Sung Hoon Lee
  role: author
  organization: Corning Precision Materials Company Ltd.
  department: Corning Technology Center Korea
- name: Gabriel J. Cuello
  role: author
  organization: Institut Laue Langevin
- name: Gavin B. M. Vaughan
  role: author
  organization: ESRF–The European Synchrotron
- name: Philip S. Salmon
  role: author
  organization: University of Bath
  department: Department of Physics

## Contact agent



## Publisher

organization: National Institute for Materials Science (NIMS)

## Managing organization



## Keyword

- subject: PNCS17
  schema: not_defined
- subject: titanium phosphate glass
  schema: not_defined
- subject: neutron diffraction
  schema: not_defined
- subject: high-energy X-ray diffraction
  schema: not_defined
- subject: nuclear magnetic resonance
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal



## Conference

name: The 17th International Conference on the Physics of Non-Crystalline Solids (PNCS17)
identifier: https://amorphous.tf.chiba-u.jp/pncs2025/

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## Specimen



## Chemical composition



## Structure for specimen



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## Fileset

- id: 335fff4c-6d6f-4545-bf2a-7033b6357fe1
  filename: Abstracts_Salmon.pdf
  content_type: application/pdf
  size: 271491
  md5: 620901393c4cf590a57ec6947cb695a1

## Thumbnail

fileset_id: 335fff4c-6d6f-4545-bf2a-7033b6357fe1
filename: Abstracts_Salmon.pdf