Five New Chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8: Syntheses, Crystal Structures, and Optical Properties

Feng, Kai; Yin, Wenlong; Lin, Zhidan; Yao, Jiyong; Wu, Yicheng

doi:10.1021/ic401820a

Cited by 39 publications

(27 citation statements)

References 53 publications

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“…Resembling our previously reported Ba 3 GaS 4 Cl [9], KBa 2 SnS 4 Br belongs to the Ba 3 FeS 5 structure type [17] in centrosymmetric orthorhombic space group Pnma (Fig. 3A).…”

Section: Crystal Structure Of Kba 2 Sns 4 Brsupporting

confidence: 73%

“…2A) and KBa 2 SnS 4 Cl are both isostructural to our previously reported Ba 3 InSe 4 Cl [9] and belong to the Cs 3 CoCl 5 structure type in the centrosymmetric tetragonal space group I4/mcm [13]. So, only the structure of NaBa 2 SnS 4 Cl is discussed here.…”

Section: Crystal Structure Of Naba 2 Sns 4 CL and Kba 2 Sns 4 Clmentioning

confidence: 74%

“…Ba1 and Ba2/K2 atoms are both only coordinated to six S atoms and two Br atoms with Ba1-S bond length of 3.Å)[16]. In addition, KBa 2 SnS 4 Br may be viewed as originating from our previously reported Ba 3 GaS 4 Cl[9] compound with the Ga 3+ and half Ba2 2+ cations in Ba 3 GaS 4 Cl occupied by Sn 4+ and K + cations respectively. As reported in Ba 3 GaS 4 Cl, the structure of KBa 2 SnS 4 Br can be presented as K2/Ba2-Br-Ba1 zigzag pseudo̢layers stacked along a direction with SnS 4 tetrahedra in the interspaces.…”

mentioning

confidence: 86%

“…The identical Ba1-S bond length is 3.432(2) Å, similar to those of Ba 3 PrInS 6 (3.171(1)-3.335(1) Å)[15], and the Ba1-Cl length is 3.576(1) Å, longer than that of BaCl 2 (3.159(1)-3.197(1) Å)[16]. Ba2/Na2 atom is coordinated to six S and two capping Cl atoms in a bicapped trigonal prism with Ba2/Na2-S bond length of 3.066(3)-3.277(3) Å and Ba2/Na2-Cl bond length of 3.135(2) Å, comparable to those of Ba 3 GaS 4 Cl (Ba-S: 3.029(1)-3.612(1) Å)[9] and Ba-Cl (3.134(1)-3.406(1) Å)[16]. The SnS 4 tetrahedra and Ba atoms may be viewed as arranged in the plane perpendicular to the c-axis and Ba/Na and Cl atoms are arranged in another plane.…”

mentioning

confidence: 91%

“…Ba 3 GaS 4 X (X = Cl, Br), Ba 3 MSe 4 Cl (M = Ga, In), Ba 7 In 2 Se 6 F 8 , and NaBa 4 Ge 3 S 10 Cl [9,10]. Ba 3 GaQ 4 X (Q = S, X = Cl, Br; Q = Se, X = Cl) possess zigzag BaX pseudo-layers and isolated GaQ 4 tetrahedra.…”

Section: Introductionmentioning

confidence: 99%

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Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties

Feng

et al. 2015

Journal of Solid State Chemistry

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“…Resembling our previously reported Ba 3 GaS 4 Cl [9], KBa 2 SnS 4 Br belongs to the Ba 3 FeS 5 structure type [17] in centrosymmetric orthorhombic space group Pnma (Fig. 3A).…”

Section: Crystal Structure Of Kba 2 Sns 4 Brsupporting

confidence: 73%

Section: Crystal Structure Of Naba 2 Sns 4 CL and Kba 2 Sns 4 Clmentioning

confidence: 74%

mentioning

confidence: 86%

mentioning

confidence: 91%

Section: Introductionmentioning

confidence: 99%

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Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties

Feng

et al. 2015

Journal of Solid State Chemistry

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Gallium: Inorganic Chemistry

Banger

2015

Encyclopedia of Inorganic and Bioinorganic Chemistry

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This article is based on the original article written by Barron et al ., which provides an overview of the inorganic chemistry of gallium and its compounds. While the structure has remained the same, the sections have been updated to include areas of current studies in this field. In addition, the use of various Ga‐related alloys as either binary or ternary semiconducting material for bulk, thin film, and nanotechnology is reported. The chemistry of Ga inorganic and coordination derivatives is also reviewed and discussed.

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Strong IR NLO Material Ba₄MGa₄Se₁₀Cl₂: Highly Improved Laser Damage Threshold via Dual Ion Substitution Synergy

Liu

et al. 2015

Advanced Optical Materials

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(e.g., lower laser damage thresholds or two-photon absorption) that limit its applications. Therefore, it is important to develop new IR materials with large nonlinear susceptibility and high laser damage threshold, which impelled the recent exploration of many potential IR NLO chalcogenides, [ 5 ] halogenides, [6] and iodates. [7] However, these two parameters are usually correlated and contradictory: the wider the bandgap is, the higher the laser damage threshold, and the smaller the nonlinear susceptibility. This makes the discovery of effective NLO materials great diffi cult.We focus on the design and exploration of NLO materials, especially the propertyoriented design synthesis and the adjustment of property via crystal structure control. [ 8,9 ] Previously, we found ACd 4 In 5 Se 12 (A = Rb, Cs) with strong SHG in IR region (40 and 35 times that of benchmark AgGaS 2 with comparable transparency region 0.89-25 µm). [ 9 ] These sphalerite type compounds also show several signifi cances in that: 1) metals with different valence states, i.e., divalent M 2+ and trivalent M 3+ , can jointly share the center-site of each MSe 4 tetrahedron, [ 9 ] such as Cd 2+ /Ga 3+ , Cd 2+ /In 3+ , Mn 2+ /In 3+ ; that 2) the occupancy of the divalent metal can vary considerably, such as: Cd 2+ : 28%-58%, Mn 2+ , 31%-56%; and that 3) the cooperation of the divalent metal not only enhances the IR NLO property, but also introduces the coexistence of the other property, such as thermochromic property by Cd 2+ ; and magnetic property by Mn 2+ . We have concluded these as the "functionalization based on the substitutional fl exibility". [ 9,10 ] Our previous work also reveal that instead of transition metal tetrahedron, main group metal tetrahedron, as the primary building unit, can construct a supertetrahedral framework Ba 3 CsGa 5 Se 10 Cl 2 showing very strong SHG that is about 100 times that of the benchmark AgGaS 2 in the particle size of 30-46 µm. [ 11 ] The 3D covalent framework is built by supertetrahedral Ga 4 Se 10 clusters (T2, a group of four apex-shared GaSe 4 tetrahedra) and single GaSe 4 tetrahedron (T1, as node). Interestingly, such a supertetrahedral framework exhibits not only very strong IR SHG, but also photoluminescence. Yet, the poor crystallinity and the low laser damage threshold prevent its application as a useful NLO material. We are therefore eager to further improve the performance and functionalize such a supertetrahedral framework via introducing transition metal (M) ions. However, the simple "Ga-to-M substitution" will be

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Five New Chalcohalides, Ba₃GaS₄X (X = Cl, Br), Ba₃MSe₄Cl (M = Ga, In), and Ba₇In₂Se₆F₈: Syntheses, Crystal Structures, and Optical Properties

Cited by 39 publications

References 53 publications

Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties

Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties

Gallium: Inorganic Chemistry

Strong IR NLO Material Ba₄MGa₄Se₁₀Cl₂: Highly Improved Laser Damage Threshold via Dual Ion Substitution Synergy

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Five New Chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8: Syntheses, Crystal Structures, and Optical Properties

Cited by 39 publications

References 53 publications

Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties

Four new chalcohalides, NaBa2SnS4Cl, KBa2SnS4Cl, KBa2SnS4Br and CsBa2SnS4Cl: Syntheses, crystal structures and optical properties

Gallium: Inorganic Chemistry

Strong IR NLO Material Ba4MGa4Se10Cl2: Highly Improved Laser Damage Threshold via Dual Ion Substitution Synergy

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Five New Chalcohalides, Ba₃GaS₄X (X = Cl, Br), Ba₃MSe₄Cl (M = Ga, In), and Ba₇In₂Se₆F₈: Syntheses, Crystal Structures, and Optical Properties

Strong IR NLO Material Ba₄MGa₄Se₁₀Cl₂: Highly Improved Laser Damage Threshold via Dual Ion Substitution Synergy