A₂P₂S₆ (A = Ba and Pb): a good platform to study the polymorph effect and lone pair effect to form an acentric structure

Abstract

Three ternary thiophosphates α-Ba2P2S6, β-Ba2P2S6, and Pb2P2S6, were synthesized via a high temperature salt flux method or an I2 transport reaction. β-Ba2P2S6 and Pb2P2S6 were previously structurally characterized without investigating...

Eu2P2S6: The First Rare‐Earth Chalcogenophosphate Exhibiting Large Second‐Harmonic Generation Response and High Laser‐Induced Damage Threshold

“…The lengths of the EuÀ S bonds are consistent with those in EuHgGeS 4 , [32] EuCdGeS 4 [34] and Cu 2 EuSiS 4 containing an eightfold-coordinated Eu 2 + ion, [44] while their bond angles are quite different (Table S7) due to the presence of strongly polarized (P 2 ) 8 + cations in the [P 2 S 6 ] 4À dimer. The PÀ S and PÀ P bond lengths are similar to those in Ba 2 P 2 S 6 , [45] Pb 2 P 2 S 6 [45] and SnPS 3 . [46] Each EuS 8 btp is surrounded by six EuS 8 ones via sharing an S corner or edge, with the Eu•••Eu distances from 4.46443(8) to 5.5091(5) Å (Figure S6).…”

“…In order to better understand the structure–property relationship in Eu 2 P 2 S 6 , a comparison among different M 2 P 2 S 6 (M=divalent metal element) phases (Ba 2 P 2 S 6 , [45] Pb 2 P 2 S 6 , [45] and SnPS 3 [46] ) is made. Based on the structural analyses (Figure S8), the fundamental building units of these compounds are roughly similar, differing with respect to the coordination numbers of M 2+ cations (9 for Ba and 8 for Pb, and 8, 9 for Sn).…”

Shedding Light on the Structure and Characterization of K2ZnGe2O6: A Phase-Matchable Nonlinear Optical Crystal

“…or stereochemically active lone pair cations (Te 4+ , Bi 3+ , Pb 2+ , etc.) susceptible to second-order Jahn–Teller effect, − and (3) incorporating d 10 transition metal cations (Zn 2+ , Hg 2+ , etc.) exhibiting high polar displacement in the coordination environment .…”

d6versus d10, Which Is Better for Second Harmonic Generation Susceptibility? A Case Study of K2TGe3Ch8 (T = Fe, Cd; Ch = S, Se)

“…One interesting question raised here would be why K 2 CdGe 3 S 8 shows a much better SHG response than K 2 FeGe 3 S 8 regardless of their isostructural nature. Understanding the origin of high SHG response is critical for designing emerging NLO materials. , What are the chemical reasons for the enhancement of the SHG response of K 2 CdGe 3 S 8 versus K 2 FeGe 3 S 8 ?…”