The Environment of Fe3+/Fe2+ Cations in a Sodium Borosilicate Glass

WRIGHT, Adrian C., SINCLAIR, Roger N., SHAW, Joanna L., HAWORTH, Richard, BINGHAM, Paul, FORDER, Sue, HOLLAND, Diane, SCALES, Charlie R., CUELLO, Gabriel J. and VEDISHCHEVA, Natalia M. (2017). The Environment of Fe3+/Fe2+ Cations in a Sodium Borosilicate Glass. Physics and Chemistry of Glasses : European Journal of Glass Science and Technology Part B, 58 (3), 78-91.

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Abstract

The neutron diffraction isotopic substitution technique is employed to investigate the environment of Fe3+/Fe2+ cations in a sodium borosilicate glass matrix of composition 0.210Na2O0.18511B2O30.605SiO2. The neutron diffraction data were obtained using the D4c diffractometer at the Institut Laue-Langevin (ILL; Grenoble, France), and were recorded for three samples; the base glass, the base glass incorporating natural Fe2O3 (12 mol.%) and a similar glass containing Fe2O3 enriched in 57Fe. The data are Fourier transformed to yield the real-space total correlation function, T(r), and the first co-ordination shells of the Fe3+/Fe2+ cations are investigated via a peak fit to the isotopic difference correlation function TFe(r). It is concluded that the iron is mainly present as Fe3+ cations, both tetrahedrally and octahedrally co-ordinated by oxygen atoms, plus a small fraction (0.07 ± 0.01) of Fe2+ cations in octahedral co-ordination. The Fe3+ tetrahedral fraction is 0.45 ± 0.10, and appears to exist as FeØ4 structural units incorporated into the network of silicate chemical groupings, with their negative charge being balanced by Na+ network-modifying cations. The remaining Fe3+ cations (fraction 0.48 ± 0.10) are thought to be predominantly octahedrally co-ordinated and associatedwith BO33 orthoborate anions in FeBO3 chemical groupings, which become non-stoichiometric due to the reduction of some of the Fe3+ cations to Fe2+.

Item Type:	Article
Research Institute, Centre or Group - Does NOT include content added after October 2018:	Materials and Engineering Research Institute > Engineering Research
Identification Number:	https://doi.org/10.13036/17533562.58.3.016
Page Range:	78-91
Depositing User:	Paul Bingham
Date Deposited:	08 Nov 2016 12:06
Last Modified:	18 Mar 2021 05:11
URI:	https://shura.shu.ac.uk/id/eprint/13939

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