New niobium selenites, ANbO(SeO3)2 (A = Na, K, Rb, and Cs): Effect of alkali metal cation size on the dimensionality and intraoctahedral distortion

Kim, Youngkwon; Kim, Bongsu; Ok, Kang Min

doi:10.1016/j.jallcom.2015.12.091

Cited by 10 publications

(4 citation statements)

References 47 publications

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“…The IR spectra measured for powder samples show that IR (cm –1 ): v (Se–O): 807, 768, 697 and 874, 818, 799, 705; v (Bi–O/F): 518, 477, 441 and 509, 463, 437 (Figure S9). These assignments are consistent with those reported before. ,,,,, …”

Section: Methodssupporting

confidence: 92%

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A₂Bi₂(SeO₃)₃F₂ (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps

et al. 2020

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A family of noncentrosymmetric alkali-metal bismuth selenite fluorides, A 2 Bi 2 (SeO 3 ) 3 F 2 [A = K(1) and Rb(2)], has been synthesized through a mild hydrothermal method. These isostructural compounds all had onedimensional [Bi 2 O 9 F 2 ] chains, which were further connected with neighbouring chains through bridged selenite groups to construct the 3D framework. Because of the relatively ordered alignment of [BiO x F y ] and SeO 3 groups, they have large second-harmonic generation (SHG) responses of about 15.0(1) and 14.4(2) times that of KH 2 PO 4 (KDP) under 1064 nm laser radiation and 0.40(1) and 0.36(2) times that of AgGaS 2 (AGS) under 2.05 μm laser radiation, respectively. In addition, the SHG response of (1) was the largest among those of all reported metal selenites. In addition, all of them had high thermal stability (∼400 °C), wide energy band gaps (over 3.72 eV), and an excellent IR transparent region, suggesting that they had great potential as high power mid-infrared nonlinear optical crystals.

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Section: Methodssupporting

confidence: 92%

“…These assignments are consistent with those reported before. 17,18,21,29,43,44 Laser-Induced Damage Threshold Measurement. The laserinduced damage threshold (LDT) measurements of A 2 Bi 2 (SeO 3 ) 3 F 2 (A = K and Rb) were carried out on a pulsed Nd:YAG laser (1064 nm, 10 ns, 1 Hz) at ambient temperature, with AgGaS 2 as the reference.…”

Section: ■ Methodsmentioning

confidence: 99%

A₂Bi₂(SeO₃)₃F₂ (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps

et al. 2020

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“…Thus, the Cs + cation should reside in the interlayer space and generate a layered structure of CsIn(SeO 3 ) 2 (Figure c). Similar cation size effects on framework structures have been observed in various stoichiometrically equivalent alkali metal selenites and tellurites. − …”

Section: Effect Of Cation Size On the Centricity And The Framework St...supporting

confidence: 59%

Toward the Rational Design of Novel Noncentrosymmetric Materials: Factors Influencing the Framework Structures

2016

Acc. Chem. Res.

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502

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Solid-state materials with extended structures have revealed many interesting structure-related characteristics. Among many, materials crystallizing in noncentrosymmetric (NCS) space groups have attracted massive attention attributable to a variety of superb functional properties such as ferroelectricity, pyroelectricity, piezoelectricity, and nonlinear optical (NLO) properties. In fact, the characteristics are pivotal to many industrial applications such as laser systems, optical communications, photolithography, energy harvesting, detectors, and memories. Thus, for the past several decades, a great deal of synthetic effort has been vigorously made to realize these technologically important properties by improving the occurrence of macroscopic NCS space groups. A bright approach to increase the incidence of NCS structures was combining local asymmetric units during the initial synthesis process. Although a significant improvement has been achieved in obtaining new NCS materials using this strategy, the majority of solid-state materials still crystallize in centrosymmetric (CS) structures as the locally unsymmetrical units are easily lined up in an antiparallel manner. Therefore, discovering an effective method to control the framework structure and the macroscopic symmetry is an imminent ongoing challenge. In order to more effectively control the overall symmetry of solid-state compounds, it is critical to understand how the backbone and the subsequent centricity are affected during the crystallization. In this Account, several factors influencing the framework structure and centricity of solid-state materials are described in order to more systematically discover novel NCS materials. Recent studies on crystalline solid-state materials suggest three factors affecting the local coordination environment as well as the overall symmetry of the framework structure: (1) size variations of the various template cations, (2) a variable backbone arrangement occurring from the hydrogen-bonding interactions, and (3) the presence of framework flexibility. With regard to the first factor, the impact of size of the various metal cations and coordination numbers on the alignment of other adjacent polyhedra, linkers, and lone pairs determining the framework geometries of mixed metal oxides is analyzed. The second factor considers the regulation of crystallographic centricity determined by the availability of hydrogen-bonding interactions between anionic frameworks containing local asymmetric polyhedra and organic cations. Finally, the third factor explores the framework architecture and the space group symmetry influenced by the flexibility of polyhedra revealing variable coordination numbers. The centricity and framework of new solid-state materials might be controlled by using a variety of synthetically controllable asymmetric units such as organic structure-directing cations and linkers with different sizes and functional groups.

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“…[6] Introducing two different kinds of the above ions/groups to one compound was provedt ob ea ne ffective methodt oa chieve birefringentc rystals. [7][8][9][10][11] An umber of d 0 -TM tellurites and selenites were reported to exhibit large birefringence, such as a-BaTeMo 2 O 9 (Dn = 0.194 at 2325 nm), [7] Na 2 TeW 2 O 9 (0.1471 at 1062.6 nm), [8] Cs(TiOF) 3 (SeO 3 ) 2 (0.279 at 1064 nm) [9] and NaN-bO(SeO 3 ) 2 (0.276 at 1064 nm). [10] The counter-cations of these…”

Section: Introductionmentioning

confidence: 99%

Exploration of New Birefringent Crystals in Bismuth d⁰ Transition Metal Selenites

Gong

Kong

et al. 2019

Chemistry A European J

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The first examples of bismuth fluoride selenites with d0‐TM/TeVI polyhedrons, namely, Bi4TiO2F4(SeO3)4 (1), Bi4NbO3F3(SeO3)4 (2), Bi4TeO4F2(TeO3)2(SeO3)2 (3), Bi2F2(MoO4)(SeO3) (4) and Bi2ZrO2F2(SeO3)2 (5) have been successfully synthesized under hydrothermal reactions by aliovalent substitution. The five new compounds feature three different types of structures. Compounds 1–3, containing TiIV, NbV and TeVI respectively, are isostructural, exhibiting a new 3D framework composed of a 3D bismuth oxyfluoride architecture, with intersecting tunnels occupied by d0‐TM/TeVI octahedrons and selenite/tellurite groups. Interestingly, compound Bi4TeO4F2(TeO3)2(SeO3)2 (3) is the first structure containing SeIV and mixed‐valent TeIV/TeVI cations simultaneously. Compound 4 features a new 3D structure formed by a 3D bismuth oxyfluoride network with MoO4 tetrahedrons and selenites groups imbedded in the 1D tunnels. Compound 5 displays a novel pillar‐layered 3D open framework, consisting of 2D bismuth oxide layers bridged by the [ZrO2F2(SeO3)2]6− polyanions. Theoretical calculations revealed that the five compounds displayed very strong birefringence. The birefringence values of compounds 1–3, especially, are above 0.19 at 1064 nm, which are larger than the mineral calcite. Based on the structure and property analysis, it was found that the asymmetric SeO3 groups (and TeO3 in compound 3) displayed the largest anisotropy, compared with the bismuth cations and the d0‐TM/Te polyhedra, which is beneficial to the birefringence.

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New niobium selenites, ANbO(SeO3)2 (A = Na, K, Rb, and Cs): Effect of alkali metal cation size on the dimensionality and intraoctahedral distortion

Cited by 10 publications

References 47 publications

A₂Bi₂(SeO₃)₃F₂ (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps

A₂Bi₂(SeO₃)₃F₂ (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps

Toward the Rational Design of Novel Noncentrosymmetric Materials: Factors Influencing the Framework Structures

Exploration of New Birefringent Crystals in Bismuth d⁰ Transition Metal Selenites

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New niobium selenites, ANbO(SeO3)2 (A = Na, K, Rb, and Cs): Effect of alkali metal cation size on the dimensionality and intraoctahedral distortion

Cited by 10 publications

References 47 publications

A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps

A2Bi2(SeO3)3F2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps

Toward the Rational Design of Novel Noncentrosymmetric Materials: Factors Influencing the Framework Structures

Exploration of New Birefringent Crystals in Bismuth d0 Transition Metal Selenites

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A₂Bi₂(SeO₃)₃F₂ (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps

A₂Bi₂(SeO₃)₃F₂ (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps

Exploration of New Birefringent Crystals in Bismuth d⁰ Transition Metal Selenites