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

Article abstract of DOI:10.1063/1.459766

A treatment based on Badger's rule is used to estimate symmetric stretching frequencies ν_s of the nonbridging fluorides of various ZrFn 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 ν_s 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.

Full text of DOI:10.1063/1.459766

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, and C. Austen Angell
Citation: J. Chem. Phys. 94, 3440 (1991); doi: 10.1063/1.459766
View online: http://dx.doi.org/10.1063/1.459766
View Table of Contents: http://jcp.aip.org/resource/1/JCPSA6/v94/i5
Published by the American Institute of Physics.
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Downloaded 14 Jan 2013 to 152.14.136.96. Redistribution subject to AIP license or copyright; see http://jcp.aip.org/about/rights_and_permissions

Downloaded 14 Jan 2013 to 152.14.136.96. Redistribution subject to AIP license or copyright; see http://jcp.aip.org/about/rights_and_permissions

Downloaded 14 Jan 2013 to 152.14.136.96. Redistribution subject to AIP license or copyright; see http://jcp.aip.org/about/rights_and_permissions

Downloaded 14 Jan 2013 to 152.14.136.96. Redistribution subject to AIP license or copyright; see http://jcp.aip.org/about/rights_and_permissions

Downloaded 14 Jan 2013 to 152.14.136.96. Redistribution subject to AIP license or copyright; see http://jcp.aip.org/about/rights_and_permissions

Downloaded 14 Jan 2013 to 152.14.136.96. Redistribution subject to AIP license or copyright; see http://jcp.aip.org/about/rights_and_permissions

Downloaded 14 Jan 2013 to 152.14.136.96. Redistribution subject to AIP license or copyright; see http://jcp.aip.org/about/rights_and_permissions

Downloaded 14 Jan 2013 to 152.14.136.96. Redistribution subject to AIP license or copyright; see http://jcp.aip.org/about/rights_and_permissions

Downloaded 14 Jan 2013 to 152.14.136.96. Redistribution subject to AIP license or copyright; see http://jcp.aip.org/about/rights_and_permissions