Abstract A new acentric barium borate crystal Ba2[B5O8(OH)]2[B(OH)3]·H2O (1) has been synthesized under medium temperature hydrothermal condition. The crystallographic data of 1: chiral space group P21, a = 6.7765(5) A, b = 21.2211(12) A, c = 6.8395(5) A, β = 119.381(9)°, V = 857.04(10) A3 and Z = 2. The structure of compound 1 consists of face-to-face double-layers constructed from two [B5O8(OH)] cluster units. Furthermore, these double-layers are linked each other through Ba O bond and hydrogen bond. Also the new acentric borate has a SHG efficiency 1.2 times that of KH2PO4 (KDP), and high transmittance between 300 and 2000 nm.

中文翻译：

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一种新的 Ba2[B5O8(OH)]2[B(OH)3]·H2O 无心硼酸盐：合成、结构和非线性光学性质

摘要 在中温水热条件下合成了一种新的无心硼酸钡晶体Ba2[B5O8(OH)]2[B(OH)3]·H2O(1)。1的晶体学数据：手性空间群P21，a=6.7765(5)A，b=21.2211(12)A，c=6.8395(5)A，β=119.381(9)°，V=857.04(10)A3 Z = 2。化合物 1 的结构由两个 [B5O8(OH)] 簇单元构成的面对面双层组成。此外，这些双层通过Ba O 键和氢键相互连接。此外，新型无心硼酸盐的 SHG 效率是 KH2PO4 (KDP) 的 1.2 倍，并且在 300 到 2000 nm 之间具有高透射率。