2021
DOI: 10.1021/acs.inorgchem.1c03171
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Noncentrosymmetric Ba6In2Q10 (Q = S, Se): Structural Chemistry and Nonlinear-Optical Activity

Abstract: The indispensable condition for laser frequency-doubling crystal materials is that they crystallize in the noncentrosymmetric (NCS) structures. Here, ternary NCS Ba6In2S10 (1) and Ba6In2Se10 (2) (P63) were synthesized via conventional solid-state reactions. Their zero-dimensional structures feature isolated InQ4 tetrahedra and Q2 2– (Q = S, Se) dimers that are separated by Ba2+ counter cations. The structural relevance and differences with the centrosymmetric Ba12In4S19 and Ba12In4Se20 are analyzed in detail. … Show more

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Cited by 8 publications
(6 citation statements)
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References 61 publications
(57 reference statements)
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“…Two types of Ga atoms are 4fold-coordinated with S atoms to construct distorted GaS 4 tetrahedra. The lengths of the Ba−S, Hg−S, and Ga−S bonds are 3.0408(9)−3.6604(11), 2.3301(10)−2.3573(10), and 2.2032(10)−2.3304(10) Å, consistent with those in Ba 6 In 2 S 10 , 26 HgS, 14 and AAgGa 6 S 10 (A = K, Rb, Cs), 27 respectively. Considering the ionicity of the Ba 2+ cations, the dimensionality of BHGS is determined by the anionic part.…”
supporting
confidence: 66%
“…Two types of Ga atoms are 4fold-coordinated with S atoms to construct distorted GaS 4 tetrahedra. The lengths of the Ba−S, Hg−S, and Ga−S bonds are 3.0408(9)−3.6604(11), 2.3301(10)−2.3573(10), and 2.2032(10)−2.3304(10) Å, consistent with those in Ba 6 In 2 S 10 , 26 HgS, 14 and AAgGa 6 S 10 (A = K, Rb, Cs), 27 respectively. Considering the ionicity of the Ba 2+ cations, the dimensionality of BHGS is determined by the anionic part.…”
supporting
confidence: 66%
“…Five novel melilite‐type oxychalcogenide IR NLO materials with the formula of Sr 2 MN 2 OS 6 , that is, Sr 2 ZnSn 2 OS 6 , [24a] Sr 2 ZnGe 2 OS 6 , [27] Sr 2 CdGe 2 OS 6 , [27] Sr 2 MnGe 2 OS 6 [27] and Sr 2 CoGe 2 OS 6 , [28] were reported in 2022. Before these reports, the structures of Sr 2 ZnGe 2 OS 6 and Sr 2 MnGe 2 OS 6 were reported, [29] nevertheless, their NLO properties had not been studied by then.…”
Section: Materials Structures and Propertiesmentioning
confidence: 99%
“…Chemical substitution is a common strategy in the design of NLO crystals. [70][71][72][73][74][75] Single cations are more isotropic than polycations and tend to form a structural framework with higher symmetry. Compared with simple element substitution, anisotropic polycationic substitution can greatly improve the flexibility of crystal structure.…”
Section: [Aba 2 Cl][ga 4 S 8 ] (A = Rb Cs)mentioning
confidence: 99%
“…Chemical substitution is a common strategy in the design of NLO crystals [70–75] . Single cations are more isotropic than polycations and tend to form a structural framework with higher symmetry.…”
Section: Salt‐inclusion Chalcohalidesmentioning
confidence: 99%