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American Mineralogist; November 2006; v. 91; no. 11-12; p. 1783-1793; DOI: 10.2138/am.2006.2075
© 2006 Mineralogical Society of America
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A new approach to determine and quantify structural units in silicate glasses using micro-reflectance Fourier-Transform infrared spectroscopy

Kim N. Dalby* and Penelope L. King

Department of Earth Sciences, The University of Western Ontario, London, Ontario N6A 5B7, Canada

Correspondence: * E-mail: kdalby{at}uwo.ca

Eight silicate unit vibrational modes were identified in a suite of PbO-SiO2 glasses using micro-reflectance Fourier Transform infrared (µR-FTIR) spectra that were transformed using the Kramers-Kronig relation. The transformed FTIR spectra, in the 800–1200 cm–1 range, were deconvolved systematically into eight Voigt-shaped bands at centers that were predicted from the second derivative of the spectra. The area of the eight bands varied as a function of SiO2 content, and these trends were combined with theoretical constraints to identify and assign the bands to seven provisional silicate units: SiO4–4 (830 and 860 cm–1), Si2O6–7 (900 cm–1), Si6O12–18 (950 cm–1), Si2O4–6 (980 cm–1), Si4O6–11 (1010 cm–1), Si2O2–5 (1050 cm–1), and SiO2 (1100 cm–1). The provisional units were then grouped according to their NBO/T values: NBO/T = 4 (SiO4–4), NBO/T = 3 (Si2O6–7 ), NBO/T = 2 (Si6O12–18 and Si2O4–6 ), NBO/T = 1 (Si4O6–11 and Si2O2–5 ) and NBO/T = 0 (SiO2). The derived quantities of each NBO/T unit compare favorably with nuclear magnetic resonance data for PbO-SiO2 glasses reported in the literature. This new approach for determining glass structure is advantageous because it may be performed on small Fe-bearing samples with minimal preparation, and analyses are rapid and relatively inexpensive.

Key Words: IR spectroscopy • glass structure • band fitting • PbO-SiO2






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