Variation in P-O Bonding in Phosphate Glasses -A Neutron Diffraction Study

Author:

Hoppe Uwe1,Kranold Rainer1,Stachel Dörte2,Barz Andrea2,Hannonb Alex C.3

Affiliation:

1. 1Universität Rostock, Fachbereich Physik, D-18051 Rostock

2. 2Friedrich-Schiller-Universität Jena, Otto-Schott-Institut, Chemisch-Geowissenschaftliche Fakultät, D-07743 Jena

3. 3ISIS Facility, Rutherford Appleton Laboratory, Chilton, Didcot 0X11 OQX, UK

Abstract

Two different lengths of P-O bonds in the PO4 units of phosphate glasses are found by neutron diffraction experiments of high resolution in real space. The two lengths are related to bonds of the phosphorus atom with the terminal and the bridging oxygen atoms. The mean lengths and widths of both P-0 distance peaks change as a function of the glass composition. In a large range, starting from vitreous P2O5 s up to the pyrophosphate composition, the behavior of the bond lengths is compared with that in the related crystals and with that resulting from ab initio calculations. The bond lengths depend not only on the species of the participating oxygen atoms and on the number of links of the concerning PO4 unit but also on the number of links of the neighboring PO4 unit and on the species of the modifier cation

Publisher

Walter de Gruyter GmbH

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy,Mathematical Physics

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