# Local- and Intermediate-Range Atomic Structures of (Ga                    <sub>2</sub>                    S                    <sub>3</sub>                    )                    <sub>0.25</sub>                    (GeS                    <sub>2</sub>                    )                    <sub>0.75</sub>                    Glass: Complementary Use of X-Rays and Neutrons

https://mdr.nims.go.jp/datasets/11236206-3371-4e07-8e70-b676200e40f6

## File

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## Id

11236206-3371-4e07-8e70-b676200e40f6

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2026-06-17T01:22:52.245639Z

## Updated at

2026-06-17T01:24:46.522997Z

## Published at

2026-06-17T03:39:57.910772Z

## Doi



## First published url

https://doi.org/10.7566/jpscp.45.011046

## Date published

2026-06-12

## Recorded date published

2026-6-12

## Resource type

dataset

## Manuscript type

vor

## Collection



## Title

- title: |-
    Local- and Intermediate-Range Atomic Structures of (Ga
                        <sub>2</sub>
                        S
                        <sub>3</sub>
                        )
                        <sub>0.25</sub>
                        (GeS
                        <sub>2</sub>
                        )
                        <sub>0.75</sub>
                        Glass: Complementary Use of X-Rays and Neutrons
  title_type: original
  lang: en

## Description

- description: Local- and intermediate-range atomic arrangements in a (Ga2S3)0.25(GeS2)0.75
    glass, having a high infrared transparent coefficient, were investigated by a
    combination of anomalous X-ray scattering (AXS), X-ray and neutron diffraction
    (XRD and ND), and reverse Monte Carlo (RMC) modeling, which are compared with
    our previous results of a similar (Ga2Se3)0.25(GeSe2)0.75 glass (JPS Conf. Proc.
    33, 011069 (2021)). By adding the ND structure factor and pair distribution function
    to AXS and XRD results, reasonable partial structure factors and partial pair
    distribution functions were obtained, even applying no constraints of shortest
    interatomic distances during the RMC calculation procedure. Total coordination
    numbers around Ga, Ge, and S atoms are 3.55, 3.88, and 2.77, respectively, which
    contradict the 8 − N rule except around Ge. The numbers of Ga-Ga, Ga-Ge, Ge-Ga,
    Ge-Ge, and S-S wrong bondswere found to be 0.34, 0.54, 0.36, 0.63, and 1.21, respectively.
    Small but clear differences are found by comparing with the results of selenide
    glass. In the three-dimensional atomic configuration, the structure looks inhomogeneous
    in both density and concentration as in the selenide glass.
  description_type: abstract
  lang: und

## Creator

- name: Shinya Hosokawa
  role: author
- name: Yohei Onodera
  role: author
- name: László Pusztai
  role: author
- name: Jens Rüdiger Stellhorn
  role: author
- name: Hiroo Tajiri
  role: author
- name: Kazutaka Ikeda
  role: author
- name: Toshiya Otomo
  role: author

## Contact agent



## Publisher

organization: Journal of the Physical Society of Japan

## Managing organization



## Keyword

- subject: Neutron diffraction
  schema: not_defined
- subject: Anomalous X-ray scattering
  schema: not_defined
- subject: Reverse Monte Carlo modeling
  schema: not_defined
- subject: Glass structure
  schema: not_defined

## Rights

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

## Other identifier(s)



## Data origin



## Embargo



## Journal

- title: Proceedings of the 4th J-PARC Symposium 2024

## Conference



## Related item



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## Instrument



## Instrument operator



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## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



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## Fileset

- id: b3f0d465-23b8-4de2-9a62-b2e8f74874e1
  filename: jpscp.45.011046.pdf
  content_type: application/pdf
  size: 1737204
  md5: 2777a96270bc016948b0655c0aba4b3c

## Thumbnail

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