Effects of coordination environment on the Zr-F symmetric stretching frequency of fluorozirconate glasses, crystals, and melts

Carol C. Phifer, David J. Gosztola, John Kieffer, Charles Angell

Research output: Contribution to journalArticle

23 Scopus citations

Abstract

A treatment based on Badger's rule is used to estimate symmetric stretching frequencies νs of the nonbridging fluorides of various ZrF n groups in the presence of divalent and monovalent countercations. New vibrational spectra of MgZrF6, Ba2ZrF8, and β-BaZr2F10 are presented and incorporated into the method. The factors affecting νs are outlined and discussed in detail. Compilations of estimated frequencies are used to deduce the probable local structure around Zr ions in binary barium fluorozirconate glasses and in fluorozirconate melts containing lithium and sodium ions. It is concluded that the results of Raman spectroscopy indicate the presence of seven- and eight-coordinate Zr in some barium fluorozirconate glasses.

Original languageEnglish (US)
Pages (from-to)3440-3450
Number of pages11
JournalThe Journal of chemical physics
Volume94
Issue number5
DOIs
StatePublished - Jan 1 1991

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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