A new acentric borate of Ba2[B5O8(OH)]2[B(OH)3]·H2O: Synthesis, structure and nonlinear optical property

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.