本論文將藥品在封在石英管中以固態高溫反應950 oC合成出兩個新穎金屬含鐵硫硒化物。以Ba-M-Fe-Q (M=Ag、K，Q=S、Se)系統且K及Ag能參雜是靠Fe(ⅠⅠⅠ)還原到Fe(ⅠⅠ)來達到的電荷守恆，而生成化合物1與化合物2。化合物1此晶體的結構單元可以視為一維corner-shared 及edge-shared FeS4四面體沿b軸無窮延伸，且由於部分Ba2+被K+所混填，使得a軸較長。而化合物2此晶體的有兩個結構單元，分別為[FeSe4]∞ &[AgSe6]∞以edge-shared & face-shared連結以多面體無窮延伸。性質部分，在Band gap二者皆為窄能系半導體，對化合物1約為1.45eV；且由
DTA確認化合物1為熱穩定化合物；磁性方面，現在只能確認畫化合物1在結構中Fe離子之間整體有明顯反鐵磁性作用力。

The two new metal chalcogenides were synthesized by a solid-state reaction at 950oC. This structure crystallizes of compound1 in a centrosymmetric space group belongs to K-Ba-Fe-S system. The crystal structure unit can be viewed as an infinite one-dimensional edge-shared and face-shared FeSe4 polyhedron. Therefore, the building units compose a three-dimensional framework with Ba2+ and K+ cations filled in the tunnels. This structure crystallizes of compound2 belongs to Ba-Fe-Ag-Se system. The compound2 has two structure units, and the structure units can be viewed as an infinite three-dimensional face-shared FeSe4 and AgSe6 polyhedron. In addition, the building units compose a three-dimensional framework with Ba2+ cations filled in the tunnels. Interestingly, the compounds are viewed as Ba-Fe-Q (Q=S、Se) phase considering Ag+ and K+ doped, with Fe3+ reduced to Fe2+ for in order to maintain the electroneutrality of the system.
The differential thermal analysis of compound1 reveals that melting point is ~760 oC and the recrystallization point is ~695 oC. The magnetic chalcogenide of compound1 displays band gaps of 1.45 eV, and it is provided with antiferromagnetic interaction between single magnetic chain of iron atoms.

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