Infrared Frequency Calculations for Ideal Mullite (3Al<sub>2</sub>O<sub>3</sub>·2SiO<sub>2</sub>)

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Abstract

<jats:p>Simplified structural models for mullite were investigated, and ir frequencies were calculated for the simplest model which gave the theoretical number of ir‐active frequencies compatible with the observed spectrum. This model, which consists of independently vibrating structural units, gives plausible frequency assignments which agree well with other published data for silicates and aluminates. These assignments explain the spectral changes observed during formation of mullite from heated clay minerals. The model does not take into account the changes in stoichiometry and distortion caused by compositional variations.</jats:p>

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