Na_(2)O-K_(2)O-Al_(2)O_(3)三元系固体结构研究

Study on the Solid Structure of Na_(2)O-K_(2)O-Al_(2)O_(3) Ternary System

制备了xNa_(2)O-(1-x)K_(2)O-Al_(2)O_(3)(x=0.33,0.50,0.66,1)三元系固体,实验利用拉曼光谱技术获得了xNa_(2)O-(1-x)K_(2)O-Al_(2)O_(3)三元系固体的常温拉曼光谱和升温拉曼光谱,使用CASTEP软件优化晶体结构和计算拉曼光谱,获得了xNa_(2)O-(1-x)K_(2)O-Al_(2)O_(3)三元系样品的常温拉曼光谱,结果表明低波数区(100~400 cm^(-1))的拉曼特征峰为Na—O键的振动。中波数区(400~700 cm^(-1))的拉曼特征峰为铝氧四面体中桥氧键的振动。高波数区(700~1000 cm^(-1))的拉曼特征峰为Al-O_(nb)的振动。对三元系样品的拉曼特征峰进行有效归属。获得了0.5Na_(2)O-0.5K_(2)O-Al_(2)O_(3)样品的升温拉曼光谱,分析了xNa_(2)O-(1-x)K_(2)O-Al_(2)O_(3)三元系固体常温到高温过程中发生的结构变化。

xNa_(2)O-(1-x)K_(2)O-Al_(2)O_(3)(x=0.33,0.50,0.66,1)ternary solids were prepared,and Raman spectroscopy and temperature Raman spectra of xNa_(2)O-(1-x)K_(2)O-Al_(2)O_(3)ternary solids were obtained experimentally.The Raman spectrum of xNa_(2)O-(1-x)K_(2)O-Al_(2)O_(3)ternary samples was obtained by optimizing the crystal structure and calculating Raman spectra using Materials Studio software.The results show that the Raman characteristic peak in the low wavenumber region(100~400cm^(-1))is the vibration of the Na—O bond.The Raman characteristic peak in the medium wavenumber region(400~700cm^(-1))is the vibration of the bridge oxygen bond in the aluminum-oxygen tetrahedron.The Raman characteristic peak in the high wavenumber region(700~1000cm^(-1))is the vibration of Al-O_(nb).Efficient attribution of Raman characteristic peaks of ternary samples.The Raman spectra of 0.5Na_(2)O-0.5K_(2)O-Al_(2)O_(3)samples were obtained,and the structural changes of xNa_(2)O-(1-x)K_(2)O-Al_(2)O_(3)ternary solids from normal temperature to high temperature were analyzed.