填充式skutterudite化合物：BayFexCo4-xSb12的多步固相反应合成及结构

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Ba_yFe_xCo_4-xSb₁₂化合物.用Rietveld方法对结构的精确化结果表明：合成的Ba_yFe_xCo_4-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Ba_y关键词： 填充式skutterudite化合物 固相反应

SOLID STATE REACTION SYNTHESIS AND STRUCTURE OF FILLED SKUTTERUDITE COMPOUNDS BayFexCo4-xSb12

Ba_yFe_xCo_4-xSb₁₂(x=0—3.0，y=0—0.7) were synthesized by a two-step solid state reaction method. The results of Rietveld refinement demonstrated that Ba_yFe_xCo_4-xSb₁₂ synthesized possesses a filled skutterudite structure. The filling fraction of Ba obtained by Rietveld refinement agreed well with the composition obtained by inductively coupled plasma emission spectroscopy. Thermal parameters (B) of Ba was larger than that of Sb, and Fe/Co, indicating that Ba “rattles”in Sb-icosahedron voids. The lattice constants of Ba_yFe_xCo_4-xSb₁₂ increased with increasing Ba filling fraction and Fe content. The maximum filling fraction of Ba (y_max) in Ba_yFe_xCo_4-xSb₁₂ increased with increasing Fe content, and was found to be rather greater than that of Ce of La in Ln_yFe_xCo_4-xSb₁₂. The y_max varied from 0.35 to near 1.0 when Fe content (x) changed from 0 to 4.0.