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• W2530623226 endingPage "183" @default.
• W2530623226 startingPage "174" @default.
• W2530623226 abstract "A new barium aluminoborate, Ba6Al4B14O33, has been synthesized by the high-temperature solution reaction at 700 °C. The single-crystal XRD analysis showed that it crystallizes in a new structure type with space group P1¯, a=7.0070(14) Å, b=13.880(3) Å, c =14.702(3) Å, α=86.48(3)°, β=88.99(3)°, γ=83.46(3)°, V=1417.8(5) Å3, and Z=2. The fundamental building blocks in this structure are AlO4 tetrahedra, BO3 triangles, [Al4O14]16− groups composed of two AlO4 tetrahedra and two AlO5 trigonal bipyramids, [B6O14]10− groups formed by one BO3 triangle bonded to one [B5O12]9− double ring, and [B6O13]8− groups consisting of one BO3 triangle linked to one [B5O11]7− double ring. They are held together via common O atoms to form a 3D network, with intersecting open channels accommodating Ba2+ cations. The existence of both BO3 and BO4 groups is confirmed by FT-IR spectrum and an optical band gap of 3.44 eV is obtained from UV–VIS diffuse reflectance spectrum. Solid-state fluorescence spectrum has also been studied exhibiting the maximum emission peak at around 527 nm. Band structure calculations by the density functional theory method indicate that it is a direct band-gap insulator." @default.
• W2530623226 created "2016-10-21" @default.
• W2530623226 creator A5021938199 @default.
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• W2530623226 date "2017-01-01" @default.
• W2530623226 modified "2023-09-25" @default.
• W2530623226 title "Synthesis and characterization of a new borate Ba6Al4B14O33 with building blocks of AlO4, Al4O14, BO3, B6O14, and B6O13" @default.
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• W2530623226 doi "https://doi.org/10.1016/j.jssc.2016.10.014" @default.
• W2530623226 hasPublicationYear "2017" @default.
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