Structure determination of low-alkali-content Na2S+B2S3 glasses using neutron and synchrotron X-ray diffraction

The structures of low-alkali-content xNa(2)S + (1 - x)B2S3 (x <= 0.2) glasses have been studied by neutron and synchrotron X-ray diffraction. Similar results were obtained both in neutron and synchrotron X-ray diffraction experiments. One significant difference, however, is that with the higher resolution obtainable in the X-ray atomic distribution function data, the peak at 1.8 angstrom splits into two components, one at 1.8 angstrom and one at 1.93 angstrom with the addition of Na2S to B2S3. The experimental total atomic distribution functions have been compared to model ones computed on the basis of structure data for crystalline counterparts of the glasses. The results provide direct structural evidence that doping B2S3 with Na2S creates a large fraction of tetrahedrally coordinated borons in the glass. (c) 2005 Published by Elsevier B.V.