Synthesis, growth, crystal structure and optical properties of BaBiBO4

Synthesis, Growth, Crystal Structure and Optical Properties of BaBiBO 4 . -A single crystal of BaBiBO4 (about 18 x 10 x 5 mm 3 ) is prepared by the top-seeded solution growth method from an equimolar mixture of Ba(NO3)2, Bi2O3, and H3BO3 (600°C, 10 h) and characterized by XRD and UV/VIS/IR transmittance spectroscopy. BaBiBO4 crystallizes in the centrosymmetric orthorhombic space group Pnma with Z = 4. Its three-dimensional framework structure contains BiO 5 and BaO 9 polyhedra, and BO3 triangles. The BiO5 polyhedra and BO3 triangles form infinite one-dimensional chains. The compound exhibits a wide transmittance range of 310-3000 nm. -(DONG, X.; PAN*, S.; LI, F.; SHI, Y.; ZHOU, Z.; ZHAO, W.; HUANG, Z.; Inorg. Chem. Commun. 23 (2012) 109-112, http://dx.

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ChemInform Abstract: Synthesis, Growth, Crystal Structure and Optical Properties of BaBiBO₄.

Dong

Pan

et al. 2012

ChemInform

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M₂Cd₃B₁₆O₂₈ (M = Rb, Cs): Two Isostructural Alkali Cadmium Borates with a New Type of Borate Layer

et al. 2012

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Two new isostructural compounds, M2Cd3B16O28 (M = Rb, Cs), have been synthesized by a high‐temperature solid‐state reaction for the first time. M2Cd3B16O28 (M = Rb, Cs) crystallize in the monoclinic space group C2/c, with a = 21.4856(10) Å, b = 7.6852(4) Å, c = 13.3694(8) Å, β = 91.705(3)°, Z = 4 for Rb2Cd3B16O28 and a = 21.621(3) Å, b = 7.6820(11) Å, c = 13.4170(18) Å, β = 91.068(8)°, Z = 4 for Cs2Cd3B16O28. The compounds crystallize with (B16O34)∞ double layers bridged by Cd2+ cations to form three dimensional (3D) structures. The M+ (M = Rb, Cs) cations reside in the tunnels of the (B16O34)∞ double layers. First‐principle electronic structure calculations show that the calculated band gaps of M2Cd3B16O28 (M = Rb, Cs) are 4.67 and 4.71 eV, respectively, which are in good agreement with the experimental values estimated from UV/Vis/NIR absorption spectroscopy by using the Kubelka–Munk equation, and the observed absorption peak is assigned as a charge transfer from the O 2p state to the Cd 5s state.

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Ba₂Cd(B₃O₆)₂: A Congruent‐Melting Compound with Isolated B₃O₆ Units

Dong

Cui

Shi

et al. 2013

Zeitschrift anorg allge chemie

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The single crystals of Ba2Cd(B3O6)2 were grown by the spontaneous crystallization method for the first time. They crystallize in the centrosymmetric trigonal space group R$\bar{3}$ with a = 7.143(3) Å, c = 17.405(16) Å, and Z = 3. The structure is characterized by isolated B3O6 units, and the Ba2+ and Cd2+ cations connect with B3O6 rings to form three dimensional structure. The TG/DSC and XRD results reveal that Ba2Cd(B3O6)2 melts congruently. First‐principles electronic structure calculation performed with the density functional theory (DFT) method shows that the calculated bandgaps are 4.66 eV, which is in good agreement with the UV/Vis/NIR experimental value 4.59 eV. The calculation shows that the Ba2Cd(B3O6)2 crystal has a large birefringence (Δn = 0.0875–0.0569 from 270 nm to 2600 nm), which demonstrates that Ba2Cd(B3O6)2 is a potential birefringence crystal.

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Synthesis, growth, crystal structure and optical properties of BaBiBO4

Cited by 9 publications

References 29 publications

ChemInform Abstract: Synthesis, Growth, Crystal Structure and Optical Properties of BaBiBO₄.

ChemInform Abstract: Synthesis, Growth, Crystal Structure and Optical Properties of BaBiBO₄.

M₂Cd₃B₁₆O₂₈ (M = Rb, Cs): Two Isostructural Alkali Cadmium Borates with a New Type of Borate Layer

Ba₂Cd(B₃O₆)₂: A Congruent‐Melting Compound with Isolated B₃O₆ Units

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Synthesis, growth, crystal structure and optical properties of BaBiBO4

Cited by 9 publications

References 29 publications

ChemInform Abstract: Synthesis, Growth, Crystal Structure and Optical Properties of BaBiBO4.

ChemInform Abstract: Synthesis, Growth, Crystal Structure and Optical Properties of BaBiBO4.

M2Cd3B16O28 (M = Rb, Cs): Two Isostructural Alkali Cadmium Borates with a New Type of Borate Layer

Ba2Cd(B3O6)2: A Congruent‐Melting Compound with Isolated B3O6 Units

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Product

Resources

About

ChemInform Abstract: Synthesis, Growth, Crystal Structure and Optical Properties of BaBiBO₄.

ChemInform Abstract: Synthesis, Growth, Crystal Structure and Optical Properties of BaBiBO₄.

M₂Cd₃B₁₆O₂₈ (M = Rb, Cs): Two Isostructural Alkali Cadmium Borates with a New Type of Borate Layer

Ba₂Cd(B₃O₆)₂: A Congruent‐Melting Compound with Isolated B₃O₆ Units