本論文利用高溫高壓水熱合成法及助熔劑法分別合成出三個新穎結構的化合物：Ba[(Sb2O)B3O7(OH)] (A)、Ba2TiTe2O10 (B1)及Ba2Sb3O9(OH) (B2)，三個化合物皆藉由單晶X光繞射分析鑑定出化合物的晶體結構，再以粉末X光繞射分析比對理論圖，確定樣品純度，並用X光能量散布分析儀(EDS)確定化合物中所含之重元素。A化合物是以高溫高壓水熱法合成，為少見含三價銻原子的銻硼酸鹽(Antimony borates)，其空間群為中心對稱的Cmcm，基礎建構單元(fundamental building blocks, FBB)為[B3O7(OH)]6-，FBB會和[SbO3]3-以共角方式共享O原子連接形成二維的層狀結構。B1化合物是以助熔劑法合成所得，空間群為非中心對稱的Pca21，結構中的Ti4+和Te6+同位並和6個O原子配位形成八面體。B2化合物是以高溫高壓水熱法合成所得，空間群為非中心對稱的P212121，結構中的Sb5+會和6個O原子配位形成SbO6八面體。B1和B2化合物結構相似，結構當中皆是以三個八面體共邊形成三聚體(trimer)單元，三聚體單元再相互以共角方式共享O原子連接，形成波紋狀的二維層狀結構，Ba2+會落在層與層之間。本論文顯示高溫高壓水熱法及助熔劑法對於合成非中心對稱晶體而言，是很好的策略，有機會合成新結構之非線性光學材料。;Three new compounds, Ba[(Sb2O)B¬3O7(OH)] (A), Ba2TiTe2O10 (B1) and Ba2Sb3O9(OH) (B2), were synthesized by the high-temperature, high-pressure hydrothermal method and the flux method, respectively. All crystal structures were determined by single-crystal X-ray diffraction, and verified the heavy element content by EDS analysis. The space group of Ba[(Sb2O)B¬3O7(OH)] (A) is the centrosymmetric Cmcm. This compound is one of the few antimony borates with Sb3+ ion. The anion groups of the structure consist the FBB, [B3O7(OH)]6-, and [SbO3]3- unit. The anion groups form a two-dimensional layer structure. The space group of Ba2TiTe2O10 (B1) is the noncentrosymmetric Pca21. The structure consists of the disordered Ti/TeO6 octahedra. The space group of Ba2Sb3O9(OH) (B2) is the noncentrosymmetric P212121. The structures of both B1 and B2 are two-dimensional containing corrugated layers of edge-sharing octahedral trimers with the composition of [TiTe2O14]12- and [Sb3O13(OH)]12-, respectively. The high-temperature, high-pressure hydrothermal method and the flux method are versatile methods to synthesize new materials with interesting properties.
