摘要
利用复杂晶体化学键理论对Ce3(SiO4)2X(X=Cl,Br,I)系列晶体中的化学键参数进行了理论计算.结果显示随着配位原子按着Cl,Br,I顺序的依次改变,处于同一结构类型的Ce3(SiS4)2Cl,Ce3(SiS4)2Br和Ce3(SiS4)2I晶体中相应的化学键的共价性成依次递减的趋势,这一变化趋势与Cl,Br,I非金属性逐渐降低的变化趋势方向相同.
Chemical bond parameters of Ce3（SiO4）2X（X = Cl, Br, I） series crystals are calculated by using complex crystals chemical bond theory. It is shown that the covalence of the relevant chemical bond of the Ce3（SiO4）2Cl, Ce3（SiO4）2Br and Ce3（SiO4）2I in the same structure type manifests the trend of decreasing in turn with the changing of ligating atom by the order of Cl, Br and i elements, which coincides with the changing trend of the decreasing nonmetal property of Cl, Br and I elements.
出处
《高师理科学刊》
2006年第2期47-50,共4页
Journal of Science of Teachers＇College and University
关键词
复杂晶体
共价性
配位原子
complex crystals
covalence
ligating atom
