PAN Feng1, 3, YU Xue-hui1, MO Xuan-xue1, YOU Jing-lin2, WANG Chen1, CHEN Hui2, JIANG Guo-chang2
1. China University of Geosciences, Beijing 100083, China 2. Shanghai University, Shanghai 200072, China 3. Institute of Clothing Technology, Beijing 100029, China
Abstract：Raman spectra of aluminosilicate minerals, namely kyanite, andalusite, and sillimanite and K2O-Al2O3-SiO2 glasses were recorded. Four alumino-silicon tetrahedral model clusters were calculated by self-consistent (SCF) molecular orbital ab-initio calculation of the quantum chem (QC) method. The result shows a decrease tendency in Raman frequencies in the 800-1 200 cm-1 frequency region with increase in four-coordinated Al content, which is assigned to the Si—Onb symmetry stretching vibrations. The Raman spectra in the 700-800 cm-1 frequency region is attributed to Al—Onb symmetry stretching vibrations.
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