Experimental and theoretical investigations on the structure of the lead-vanadate-tellurate unconventional glasses

We propose a possible structural model of building blocks for the formation of continuous random 50PbO·50[6TeO2·4V2O5] glass network. Comparing the theoretical and experimental IR spectral characteristic features, we conclude that the performance of the method/basis sets used on the prediction of the structural data and vibrational modes is good.