Bi_2(IO_4)(IO_3)_3: A new potential infrared nonlinear optical material containing [IO_4]~(3-) anion

摘要

A new potential infrared (IR) nonlinear optical (NLO) material Bi _2(IO_4)(IO_3)_3 was synthesized by hydrothermal method. Bi_2(IO_4)(IO_3)_3 crystallizes in the chiral orthorhombic space group P2_12 _12_1 (No. 19) with a = 5.6831(11) ?, b = 12.394(3) ?, and c = 16.849(3) ?. It exhibits a threedimensional framework through a combination of the IO_3, IO_4, BiO_8, and BiO_9 polyhedra and is the first noncentrosymmetric (NCS) structure containing [IO_4]~(3-) anion. Bi_2(IO _4)(IO_3)_3 has an IR cutoff wavelength of 12.3 ?m and belongs to the type 1 phase-matchable class with a moderately large SHG response of 5 × KDP, which is in good agreement with the theoretical calculations.