La3B6O13(OH): The First Acentric High-Pressure Borate Displaying Edge-Sharing BO4 Tetrahedra |
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| Authors: | Birgit Fuchs Prof?Dr Gunter Heymann Xuefei Wang Abudukadi Tudi Dr Lkhamsuren Bayarjargal Dr Renée Siegel Adrian Schmutzler Prof?Dr Jürgen Senker Dr Bastian Joachim-Mrosko Dr Andreas Saxer Prof?Dr Zhihua Yang Prof?Dr Shilie Pan Prof?Dr Hubert Huppertz |
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| Institution: | 1. Institut für Allgemeine, Anorganische und Theoretische Chemie, Universität Innsbruck, Innrain 80–82, 6020 Innsbruck, Austria;2. CAS Key Laboratory of Functional Materials, and Devices for Special Environment, Xinjiang Technical Institute of Physics & Chemistry, CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, 830011 Urumqi, P. R. China;3. Institut für Geowissenschaften, Goethe-Universität Frankfurt am Main, Altenhöferallee 1, 60438 Frankfurt am Main, Germany;4. Inorganic Chemistry III and Northern Bavarian NMR Center, University of Bayreuth, Universitätsstraße 30, 95447 Bayreuth, Germany;5. Institut für Mineralogie und Petrographie, Universität Innsbruck, Innrain 52, 6020 Innsbruck, Austria;6. Institut für Konstruktion und Materialwissenschaften, Universität Innsbruck, Technikerstraße 13, 6020 Innsbruck, Austria |
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| Abstract: | La3B6O13(OH) was obtained by a high-pressure/high-temperature experiment at 6 GPa and 1673 K. The compound crystallizes in the space group P21 (no. 4) with the lattice parameters a=4.785(2), b=12.880(4), c=7.433(3) Å, and β=90.36(10)°, and is built up of corner- as well as edge-sharing BO4 tetrahedra. It represents the first acentric high-pressure borate containing these B2O6 entities. The compound develops borate layers of ?sechser“-rings with the La3+ cations positioned between the layers. Single-crystal and powder X-ray diffraction, vibrational and MAS NMR spectroscopy, second-harmonic generation (SHG) and thermoanalytical measurements, as well as computational methods were used to affirm the proposed structure and the B2O6 entities. |
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| Keywords: | high-pressure chemistry lanthanum borate NMR spectroscopy nonlinear optics vibrational spectroscopy |
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