Vibrational spectra and structure of fluorozirconate glasses

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Abstract
A series of binary fluorozirconate glasses have been prepared in the ZrF4–BaF2 system, containing between 52–74 mol % ZrF4. Their infrared and polarized Raman spectra are reported for the first time, down to 33 cm−1. The glass transition and crystallization temperatures were also measured. The vibrational modes have been assigned to different types of atomic motions in the glass network. The basic structure of the fluorozirconate glasses is proposed to consist of zigzag chains of ZrF6 octahedra, cross linked by Ba–F ionic bands. The interochtahedral Zr–F–Zr angle distribution was estimated to peak at ∼136°, based on the analysis of the two highest frequency Raman modes.