Effects of Coordination Environment on the Zr-F Symmetric Stretching Frequency of Fluorozirconate Glasses, Crystals, and Melts

摘要

A treatment based on Badger's rule is used to estimate symmetric stretching frequencies, s, of various ZrFn groups in the presence of divalent and monovalent counteractions. New vibrational spectra of MgZrF6, Ba2ZrF8, and beta-BaZr2F10 are presented and incorporated into the method. The factors affecting Vs, are outlined and discussed in detail. Compilations of estimated frequencies are applied to the interpretation of local structure around Zr ions in binary barium fluorozirconate glasses and in fluorozirconate melts containing lithium and sodium ions. It is concluded that the presence of 8-coordinate Zr in some barium fluorozirconate glasses is not inconsistent with the results of Raman spectroscopy. Keywords: Fluoride glass, Fibre communications, Optical materials, Raman spectra, Zirconium, Barium compounds, Magnesium compounds. (MJM)