本論文利用固態反應法，在高溫600 ºC下合成出新穎結構的金屬硒鹵物Ag2.52(1)Sn0.97(1)Se2.88(4)I0.62(3) (1)。此化合物之結構屬於非對稱中心的點群，其晶系及空間群為Tetragonal I4 ̅，而單位晶格的軸長為a = 7.6232(10) Å，c = 26.046(3) Å。此化合物之結構由AgSe3I與SnSe4¬四面體形成三維的骨架結構。此結構主要由兩個單元厚層區塊所組成，而厚層則沿a軸無限延伸排列。
本化合物之純相合成方法如下，先進行750 ºC高溫焠火 (quench) 的方式再經由退火 (annealing) 程序，即可獲得純相。以差示熱分析儀測定其熔點為481 oC，再結晶點為454 oC。本化合物之能隙值由紫外光可見光近紅外光吸收光譜儀鑑定為1.13 eV。本化合物之穿透度由傅立葉紅外光譜儀鑑定，可證實在波長2.5 μm ~ 25 μm的紅外光區有良好的穿透度，意味著我們化合物有作為紅外非線性光學材料的潛力。目前正在進行二倍頻的量測中，期許在其透光區有良好的二倍頻訊號。

A new metal chalcohalide Ag2.52(1)Sn0.97(1)Se2.88(4)I0.62(3) was synthesized by a solid-state reaction at 600 ºC. This structure crystallizes in a noncentrosymmetric space group of Tetragonal I4 ̅ with cell parameters a = 7.6232(10) Å, c = 26.046(3) Å, V = 1513.6(4) Å3, and Z = 8. This compound adopts a new three-dimensional structure, whose frameworhk is constructed by corner-sharing AgX4 (X = Se and Se/I) and SnSe4 tetrahedra. The Ag+ ions are disordered and can be constrained in several positions that determines the final formula. The band gap determined by UV-vis-NIR absorption spectra is estimated to be around 1.13 eV. The differential thermal analysis of compound1 reveals that melting point is ~481 ºC and the recrystallization point is ~454 ºC. The sample is transparent in the mid-infrared region from 2 μm to 25 μm. The second harmonic generation (SHG) and Third harmonic generation (THG) intensities of the sample is in progress.

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