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A new noncentrosymmetric cadmium indium borate, Cd4InO(BO3)3 (CIBO) has been successfully developed via a standard solid-state reaction. Its crystal structure was confirmed by the single crystal X-ray diffraction, which shows that CIBO belongs to the non-centrosymmetric and polar space group Cm. Its structure contains the distorted InO6 and CdOn (n = 6, 8) polyhedra, which link together by sharing an edge or corner to build a three dimensions framework with BO3 triangles accommodated in tunnels. Benefiting from the approximately parallel configuration of BO3 triangles, CIBO exhibited a strong second harmonic generation (SHG) effect (3 × KDP), and moderate birefringence of 0.077@1064 nm. Further optical and thermal characterizations suggest that CIBO possesses a wide transparent window and good thermal stability. Theoretical calculation reveals that the macroscopic SHG coefficients of CIBO results from the synergistic effect of the parallel arrangement of BO3 groups and d10 Cd2+ cation.

Cd4InO(BO3)3: A New Nonlinear Optical Crystal Exhibiting Strong Second Harmonic Generation Effect and Moderate Birefringence