Evaluation of domain models forβ-cristobalite from the pair distribution function

Abstract

We address the question of whether the structural disorder in the high-temperatureβ-cristobalite phase of silica can be explained on the basis of domain models using a newtechnique of phonon-based computer simulations of the pair distribution function. None ofthe domain models give as good an agreement to experimental data as previously reportedatomic configurations derived from a reverse Monte Carlo analysis that are consistent withthe rigid unit mode model.