Abstract
A new nonlinear optical crystal [Ca2B5O9]·[H(OH)2] (1) has been synthesized under hydrothermal condition. Compound 1 crystallizes in the monoclinic space group C2 with lattice constants a=10.111(2) Å, b=7.754(11) Å, c=6.198(14) Å, β=127.04(3)° and Z=2. The fundamental building block (FBB) of 1 is a [B5O12] unit with two BO3 triangles and three BO4 tetrahedra. 1 was characterized by single-crystal X-ray diffraction, IR and UV–Vis spectroscopy, thermogravimetric analysis (TGA), powder X-ray diffraction (PXRD) respectively. Also, powder second harmonic generation (SHG) measurements indicate that 1 is phase matchable and displays a SHG response of about 3.5 times that of KDP (KH2PO4).
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