Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Structure of Zn and Na Borophosphate Glasses by X-ray and Neutron Diffraction

Version 1 : Received: 29 April 2024 / Approved: 1 May 2024 / Online: 1 May 2024 (07:15:04 CEST)

How to cite: Hoppe, U.; Freudenberger, P. T.; Brow, R. K.; Bednarcik, J.; Hannon, A. C. Structure of Zn and Na Borophosphate Glasses by X-ray and Neutron Diffraction. Preprints 2024, 2024050052. https://doi.org/10.20944/preprints202405.0052.v1 Hoppe, U.; Freudenberger, P. T.; Brow, R. K.; Bednarcik, J.; Hannon, A. C. Structure of Zn and Na Borophosphate Glasses by X-ray and Neutron Diffraction. Preprints 2024, 2024050052. https://doi.org/10.20944/preprints202405.0052.v1

Abstract

The atomic structures of Zn and Na borophosphate glasses were studied by X-ray and neutron diffraction. Peaks assigned to the B−O, P−O, and O−O distances confirm that only BO4 units co-exist with the PO4 tetrahedra. The Zn−O and Na−O coordination numbers are found to be a little larger than four. The narrowest peaks of the Zn−O first-neighbor distances exist for the glasses along a line connecting the Zn(PO3)2 and BPO4 compositions (50 mol% P2O5) which is explained by networks of ZnO4, BO4, and PO4 tetrahedra with twofold coordinated oxygens. Calculated amounts of the available oxygen support this interpretation. Broadened peaks occur for glasses with lower P2O5 contents, consistent with the presence of threefold coordinated oxygens. The two distinct P−O peak components of the Zn and Na borophosphate glasses differ in their relative abundances which is interpreted by Na+ cations that coordinate oxygens in some P−O−B bridges, something not seen for the Zn2+ ions.

Keywords

borophosphate glasses; short-range order; neutron diffraction; X-ray diffraction

Subject

Chemistry and Materials Science, Ceramics and Composites

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