钙钛矿及类钙钛矿结构物相的若干规律性 第三部分:钾冰晶石型化合物的结晶化学规律

Some Regularities of the Intermediate Phases of Perovskite and Perovskite-like Structures Part 3:Some Regularities of Elpasolite-type Compounds

钾冰晶石结构的三元卤化物包括一大批三元熔盐相图的中间相 ,是功能材料的开发对象。我们用原子参数—模式识别方法建立钾冰晶石结构形成条件和晶胞常数计算的数学模型。除容许因子t外 ,阴阳离子半径比和电负性差也是决定钾冰晶石结构形成的必要条件。

The ternary halides with elpasolite structure include a large group of intermediate compounds in ternary phase diagrams of halides,and some of these compounds are promising functional materials.In this work,atomic parameter-pattern recognition method has been used to find the criterion for the formation of elpasolite structure and to formulate the empirical equation for the prediction of the cell constants of elpasolite-type compounds.It has been found that ionic radius ratio and electronegativity of constituent elements,together with tolerance factor t,are both the influential factors for the formation and cell constant of elpasolite-type compounds.