A non-centrosymmetric chalcohalide synthesized through the combination of chemical tailoring with aliovalent substitution.

A new non-centrosymmetric (NCS) chalcohalide, [SrCl][GeS], was successfully designed and synthesized through combining chemical tailoring with aliovalent substitution strategies from the maternal [NaSrCl][GeS]. It can exhibit a large SHG effect (0.97 × AgGaS), a wide band gap of 3.71 eV, and a high LDT (∼16 × AgGaS). These results indicate that [SrCl][GeS] may be a potential infrared nonlinear optical crystal.