Evaluation of domain models for β-cristobalite from the pair distribution function

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