AgBi(SO4)(IO3)2: Aliovalent Substitution Induces Structure Dimensional Upgrade and Second Harmonic Generation Enhancement

A new 3D noncentrosymmetric mixed-metal sulfate iodate, AgBi(SO4)(IO3)2, has been designed based on a 2D iodate of AgBi(IO3)4 via the aliovalent substitution of [IO3]− groups by [SO4]2− groups. Enhancement of the second harmonic generation response (3.0 × KDP to 3.9 × KDP) has been achieved while retaining a favorable NLO framework. This is a novel strategy to upgrade structural dimensions.