Existing interpretations of structural data and computer simulation results for binary BaF2-ZrF4 glasses are reviewed. Detailed comparisons of X-ray scattering results and new simulation results are made to determine the important structural features that a suitable model should be able to reproduce. A bipolyhedral module-based model for the glass which satisfies these constraints is then described and proposed as an idealization of the BaF2-2ZrF4 glass structure. Generalizations to other compositions and densities are considered. Key relationships to, and differences from, the bipolyhedral Zr2F12 4- module-based layer lattice recently determined for β-BaZr2 F10 are examined. The model is used as a basis for discussion of optical properties and crystallization kinetics.
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Ceramics and Composites
- Condensed Matter Physics
- Materials Chemistry