Infrared Frequency Calculations for Ideal Mullite (3Al2O3·2SiO2)
Infrared Frequency Calculations for Ideal Mullite (3Al2O3·2SiO2)
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DOI：
10.1111/j.1151-2916.1972.tb11211.x
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发表时间：
1972-02
影响因子：
3.9
通讯作者：
K. MacKenzie
中科院分区：
文献类型：
--
作者：
K. MacKenzie
研究了莫来石的简化结构模型，并计算了最简单模型的红外频率，该模型给出了与观测光谱相容的红外有效频率的理论数。该模型由独立振动的结构单元组成，给出了合理的频率分配，与其他已发表的硅酸盐和铝酸盐的数据一致。这些分配解释了在加热粘土矿物形成莫来石过程中观察到的光谱变化。该模型没有考虑到化学计量的变化和由成分变化引起的扭曲。
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.