Abstract
A new mixed-metal tetraborate, Na4Ca[B4O5(OH)4]3·14H2O (1), with an acentric structure has been synthesized under mild solvothermal conditions and characterized by powder X-ray diffraction, thermogravimetric analysis, IR and UV–Vis spectroscopy, nonlinear optical determination and single crystal X-ray diffraction. 1 crystallizes in hexagonal space group P-62c (No. 190) with the unit cell parameters: a = 11.2896 (6) A, c = 15.8360 (9) A, V = 1748.0 (2) A3, and Z = 1. The compound features two types of layered networks, a borate network with kgm topology and a Na–O–Ca network with hcb topology, which are alternately arranged generating a 3D framework with straight channels. Powder second-harmonic-generating measurement indicates that compound 1 presents a SHG response of ~0.9 times that of KDP (KH2PO4), with the UV cut-off edge below 240 nm, making 1 a potential UV NLO material.
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