CsVO2F(IO3): An Excellent SHG Material Featuring an Unprecedented 3D [VO2F(IO3)]- Anionic Framework

The first alkali-metal vanadium iodate fluoride, CsVO2F(IO3), with a novel 3D anionic framework, has been rationally designed and hydrothermally synthesized. The 3D [VO2F(IO3)](-) framework in CsVO2F(IO3) is built from 0D ?-shaped cis-[VO3F(IO3)(2)](4-) polyanions via corner-sharing of oxo anions and bridging of the iodate groups. CsVO2F(IO3) displays both a strong second-harmonic generation (SHG) 1.1 times as strong as KTiOPO4 (KTP) under 2.05 mu m laser radiation and high laser-induced damage threshold (LIDT) of 107.9 MW cm(-2). This work provides a new route to design SHG crystals with stable 3D anionic structures from low-dimensional structural building units.