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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.

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• Creative Commons BY Attribution 4.0 International
  

Keyword: Neutron diffraction, Anomalous X-ray scattering, Reverse Monte Carlo modeling, Glass structure

Date published: 2026-06-12

Publisher: Journal of the Physical Society of Japan

Journal:

• Proceedings of the 4th J-PARC Symposium 2024

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Manuscript type: Publisher's version (Version of record)

MDR DOI:

First published URL: https://doi.org/10.7566/jpscp.45.011046

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Updated at: 2026-06-17 10:24:46 +0900

Published on MDR: 2026-06-17 12:39:57 +0900