A structural model for prototypical fluorozirconate glass

Carol C. Phifer, C. Austen Angell, J. P. Laval, Jacques Lucas

Research output: Contribution to journalArticlepeer-review

44 Scopus citations


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.

Original languageEnglish (US)
Pages (from-to)315-335
Number of pages21
JournalJournal of Non-Crystalline Solids
Issue number3
StatePublished - Dec 3 1987
Externally publishedYes

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Materials Chemistry


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