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以Ba为填充原子 ,在x =0— 3 0 ,y=0— 0 7的组成范围内 ,用多步固相反应法合成了单相BayFexCo4 -xSb12 化合物 .用Rietveld方法对结构的精确化结果表明 :合成的BayFexCo4 -xSb12 化合物具有填充式skutterudite结构 ,Ba的热振动参数 (B)比Sb,Fe/Co的大 ,表明在BayFexCo4 -xSb12 化合物中Ba具有扰动效果 .晶格常量随Ba填充分数及Fe含量的增大而增大 .在BayFexCo4 -xSb12 化合物的Sb的 2 0面体空洞中 ,Ba的最大填充分数随Fe含量的增大而增大 ,并明显地大于Ce的填充分数 .当Fe含量从 0增大到 4 0时 ,Ba的最大填充分数从 0 35增大到 1 0左右
Single-phase BayFexCo4-xSb12 compounds were synthesized by multi-step solid-state reaction with Ba as the filling atom in the composition range of x = 0-3 0, y = 0-0.7 The structure of the sample was characterized by Rietveld method It is shown that the synthesized BayFexCo4-xSb12 compound has a filled skutterudite structure, and the thermal vibration parameter (B) of Ba is larger than that of Sb and Fe / Co, indicating that Ba has a perturbation effect in the BayFexCo4-xSb12 compound. And Fe content.When the content of Ba in 20 grains of BayFexCo4-xSb12 compound is increased, the maximum filling fraction of Ba increases with the increase of Fe content and obviously larger than the filling fraction of Ce.When Fe When the content increases from 0 to 40, the maximum filling fraction of Ba increases from 0 35 to about 10