Pb7O(OH)3(CO3)3(BO3): First Mixed Borate and Carbonate Nonlinear Optical Material Exhibiting Large Second-Harmonic Generation Response

The first borate carbonate UV nonlinear optical material Pb7O­(OH)3­(CO3)3(BO3) was hydrothermally synthesized, which features a (3,9)-connected IrSi3-like structure constructed by Pb7O­(OH)3­(BO3) units and carbonates. This compound exhibits a large second-harmonic generation (SHG) response about 4.5 times that of KH2PO4 (KDP), attributed to synergistic interactions between the stereoeffect of the Pb­(II) cations and coparallel BO3 and CO3 triangles groups.