Mapping the structural trends in zinc aluminosilicate glasses

Mendes Da Silva, Rita; Zeidler, Anita; Mohammadi, Hesameddin; Gammond, Lawrence D.; Girón Lange, Esther; Youngman, Randall E.; Aitken, Bruce G.; Hannon, Alex C.; Benmore, Chris J.; Vaughan, Gavin M.; Salmon, Philip S.

doi:10.1063/5.0157790

Title: Mapping the structural trends in zinc aluminosilicate glasses

Journal Article · 07 August 2023 · Journal of Chemical Physics

DOI: https://doi.org/10.1063/5.0157790 · OSTI ID:2404954

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Univ. of Bath (United Kingdom)
Univ. of Bath (United Kingdom); Institut Laue Langevin, Grenoble (France)
Corning Inc., Corning, NY (United States)
Science and Technology Facilities Council (STFC), Oxford (United Kingdom). Rutherford Appleton Lab., ISIS Neutron Source
Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)
European Synchrotron Radiation Facility (ESRF), Grenoble (France)

The structure of zinc aluminosilicate glasses with the composition (ZnO)_x(Al₂O₃)_y(SiO₂)_1-x-y, where 0 ≤ x < 1, 0 ≤ y < 1, and x + y < 1, was investigated over a wide composition range by combining neutron and high-energy x-ray diffraction with ²⁷Al magic angle spinning nuclear magnetic resonance spectroscopy. The results were interpreted using an analytical model for the composition-dependent structure in which the zinc ions do not act as network formers. Four-coordinated aluminum atoms were found to be in the majority for all the investigated glasses, with five-coordinated aluminum atoms as the main minority species. Mean Al–O bond distances of 1.764(5) and 1.855(5) Å were obtained for the four- and five-coordinated aluminum atoms, respectively. The coordination environment of zinc was not observed to be invariant. Instead, it is dependent on whether zinc plays a predominantly network-modifying or charge-compensating role and, therefore, varies systematically with the glass composition. The Zn–O coordination number and bond distance were found to be 4.36(9) and 2.00(1) Å, respectively, for the network-modifying role vs 5.96(10) and 2.08(1) Å, respectively, for the charge-compensating role. The more open coordination environment of the charge-compensator is related to an enhanced probability of zinc finding bridging oxygen atoms as nearest-neighbors, reflecting a change in the connectivity of the glass network comprising four-coordinated silicon and aluminum atoms as the alumina content is increased.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States). Advanced Photon Source (APS)

Sponsoring Organization:: USDOE Office of Science (SC)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 2404954

Journal Information:: Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 6 Vol. 159; ISSN 0021-9606

Publisher:: American Institute of Physics (AIP)Copyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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High-energy X rays
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Materials and material systems
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Title: Mapping the structural trends in zinc aluminosilicate glasses

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