Pb₅Ga₆ZnS₁₅: a noncentrosymmetric framework with chains of T2-supertetrahedra

Abstract

A novel noncentrosysmmetric sulfide, Pb5Ga6ZnS15 (1), was synthesized for the first time. Its crystal structure revealed the presence of [GaS2](-)∞ (chain 1, chains of [GaS4](5-) tetrahedra) and [Ga4S9](6-)∞ (chain 2, chains of T2-supertetrahedra) connected by isolated [ZnS4](6-) tetrahedra. Structure correlation with the network constructed solely using chain 1 (Pb4Ga4GeQ12-type) is discussed. Pb5Ga6ZnS15 was calculated to have a suitable static briefringence (Δn) of 0.1137, and a large nonlinear optical susceptibility d31 of 58.32 pm V(-1) at a wavelength of 2.05 μm (0.6 eV), much higher than that of the benchmark AgGaS2 (18.14 pm V(-1)).

K2ZnSn3Se8: A Non‐Centrosymmetric Zinc Selenidostannate(IV) Featuring Interesting Covalently Bonded [ZnSn3Se8]2− Layer and Exhibiting Intriguing Second Harmonic Generation Activity

“…Considering the structural asymmetry of K 2 ZnSn 3 Se 8 , it is worth surveying its SHG properties (Figure ) . However, owing to the insufficiency of enough pure polycrystalline sample, only appropriate amount of single crystals of K 2 ZnSn 3 Se 8 were manually selected and ground into fine powder to investigate its SHG response.…”

“…Considering the structural asymmetry of K 2 ZnSn 3 Se 8 ,i ti s worth surveying its SHG properties ( Figure 5). [32][33][34][35][36][37][38][39][40][41][42][43] However, owing to the insufficiency of enough pure polycrystalline sample, only appropriate amount of single crystalso f K 2 ZnSn 3 Se 8 were manually selected and ground into fine powdert oinvestigate its SHG response. As displayed in Figure 3a,b yu sing aQ -switched Ho:Tm:Cr:YAG laser (2.09 mm, 3Hz, and 50 ns), the SHG intensity of K 2 ZnSn 3 Se 8 was determined as about 0.6 times that of AgGaS 2 at the particles ize of 20-41 mm.…”

Sn2Ga2S5: A Type of IR Nonlinear-Optical Material

“…Because divalent Sn and Pb have coordination preferences and ionic radii similar to those of AE metals, in most cases, the lattice sites of AE in AE chalcogenides can be occupied by Sn and Pb atoms. This character has been verified by the discovery of many Pb 2+ /Sn 2+ -MQ 4 type MIR NLO materials. − Therefore, Pb 2+ /Sn 2+ chalcogenides also have high opportunities as new MIR NLO materials.…”

Ba10In6Zn7S26-nZnS: An Inorganic Composite System with Interface Phase-Matching Tuned for High-Performance Infrared Nonlinear Optical Materials

“…As mentioned above, a good NLO crystal also needs high thermal stability. Replacing T1 tetrahedra by T2 supertetrahedra is a good strategy to increase the NLO coefficient and thermal stability, such as the reported chalcogenide IR NLO crystals of BaGa 4 S 7 , PbGa 4 S 7 , Pb 5 ZnGa 6 S 15 , and Sr 5 ZnGa 6 S 15 . On the other hand, the structural entropy should be the highest when the In:Zn ratio value is close.…”