The Structure of Sodium Silicate Glass from Neutron Diffraction and Modelling of Oxygen-Oxygen Correlations

HANNON, Alex, VAISHNAV, Shuchi, ALDERMAN, Oliver and BINGHAM, Paul (2021). The Structure of Sodium Silicate Glass from Neutron Diffraction and Modelling of Oxygen-Oxygen Correlations. Journal of the American Ceramic Society.

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Abstract

It is shown that modelling the first oxygen-oxygen peak in the neutron correlation function of a glass enables structural information about other correlations to be obtained, and the method is illustrated by application to a sodium silicate glass. The first O-O coordination number can be calculated from network theory, and sodium silicate crystal structures show that the mean O-O distance can be calculated from the Si-O distance, despite the distortion of the SiO4 tetrahedra. Modelling the O-O peak for a sodium silicate glass allows the Na-O bond length distribution to be determined. For a binary glass with 42.5 mol% Na2O, it is found that the Na-O coordination number is 4.8(2) with an average bond length of 2.45 Å, and the Na-O bond lengths are more widely distributed than in sodium silicate crystal structures. Sodium ions are bonded mostly to non-bridging oxygens (NBOs), and the Na-NBO coordination number may be four as in crystals. Sodium ions are also bonded to a smaller number of bridging oxygens (BOs). Contrary to previous reports, it is not concluded that Na-NBO bonds are shorter than Na-BO bonds, but instead that the Na-BO distribution is relatively narrow, whilst the Na-NBO distribution extends to both shorter and longer distance. The broad distribution of Na-O bond lengths arises from a relatively broad distribution of Na-NBO bond valences, subject to the overall requirement of charge balance.

Item Type:	Article
Uncontrolled Keywords:	Materials; 0912 Materials Engineering; 0913 Mechanical Engineering
Identification Number:	https://doi.org/10.1111/jace.17993
SWORD Depositor:	Symplectic Elements
Depositing User:	Symplectic Elements
Date Deposited:	25 Jun 2021 11:55
Last Modified:	27 Jul 2021 13:45
URI:	https://shura.shu.ac.uk/id/eprint/28787

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