La3B6O13(OH): The First Acentric High‐Pressure Borate Displaying Edge‐Sharing BO4 Tetrahedra
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 tetrahedr...
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Published in | Chemistry : a European journal Vol. 26; no. 30; pp. 6851 - 6861 |
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Main Authors | , , , , , , , , , , , , |
Format | Journal Article |
Language | English |
Published |
Weinheim
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26.05.2020
John Wiley and Sons Inc |
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ISSN | 0947-6539 1521-3765 1521-3765 |
DOI | 10.1002/chem.201905419 |
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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.
Sharing is caring: La3B6O13(OH) was obtained via a high‐pressure/high‐temperature route at 6 GPa and 1673 K. The compound represents the first acentric borate displaying the rare feature of edge‐sharing BO4 tetrahedra. SHG measurements reveals a significant signal; further characterizations were carried out by NMR and vibrational spectroscopy, thermoanalytical analysis, and computational methods. |
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AbstractList | 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.
Sharing is caring: La3B6O13(OH) was obtained via a high‐pressure/high‐temperature route at 6 GPa and 1673 K. The compound represents the first acentric borate displaying the rare feature of edge‐sharing BO4 tetrahedra. SHG measurements reveals a significant signal; further characterizations were carried out by NMR and vibrational spectroscopy, thermoanalytical analysis, and computational methods. 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. |
Author | Heymann, Gunter Senker, Jürgen Joachim‐Mrosko, Bastian Schmutzler, Adrian Yang, Zhihua Bayarjargal, Lkhamsuren Huppertz, Hubert Wang, Xuefei Siegel, Renée Saxer, Andreas Fuchs, Birgit Tudi, Abudukadi Pan, Shilie |
AuthorAffiliation | 1 Institut für Allgemeine, Anorganische und Theoretische Chemie Universität Innsbruck Innrain 80–82 6020 Innsbruck Austria 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 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 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 |
AuthorAffiliation_xml | – name: 3 Institut für Geowissenschaften Goethe-Universität Frankfurt am Main Altenhöferallee 1 60438 Frankfurt am Main Germany – name: 1 Institut für Allgemeine, Anorganische und Theoretische Chemie Universität Innsbruck Innrain 80–82 6020 Innsbruck Austria – name: 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 – name: 6 Institut für Konstruktion und Materialwissenschaften Universität Innsbruck Technikerstraße 13 6020 Innsbruck Austria – name: 5 Institut für Mineralogie und Petrographie Universität Innsbruck Innrain 52 6020 Innsbruck Austria – name: 4 Inorganic Chemistry III and Northern Bavarian NMR Center University of Bayreuth Universitätsstraße 30 95447 Bayreuth Germany |
Author_xml | – sequence: 1 givenname: Birgit surname: Fuchs fullname: Fuchs, Birgit organization: Universität Innsbruck – sequence: 2 givenname: Gunter surname: Heymann fullname: Heymann, Gunter organization: Universität Innsbruck – sequence: 3 givenname: Xuefei surname: Wang fullname: Wang, Xuefei organization: Xinjiang Key Laboratory of Electronic Information Materials and Devices – sequence: 4 givenname: Abudukadi surname: Tudi fullname: Tudi, Abudukadi organization: Xinjiang Key Laboratory of Electronic Information Materials and Devices – sequence: 5 givenname: Lkhamsuren surname: Bayarjargal fullname: Bayarjargal, Lkhamsuren organization: Goethe-Universität Frankfurt am Main – sequence: 6 givenname: Renée orcidid: 0000-0003-1412-5237 surname: Siegel fullname: Siegel, Renée organization: University of Bayreuth – sequence: 7 givenname: Adrian surname: Schmutzler fullname: Schmutzler, Adrian organization: University of Bayreuth – sequence: 8 givenname: Jürgen orcidid: 0000-0002-7278-7952 surname: Senker fullname: Senker, Jürgen organization: University of Bayreuth – sequence: 9 givenname: Bastian surname: Joachim‐Mrosko fullname: Joachim‐Mrosko, Bastian organization: Universität Innsbruck – sequence: 10 givenname: Andreas surname: Saxer fullname: Saxer, Andreas organization: Universität Innsbruck – sequence: 11 givenname: Zhihua surname: Yang fullname: Yang, Zhihua organization: Xinjiang Key Laboratory of Electronic Information Materials and Devices – sequence: 12 givenname: Shilie surname: Pan fullname: Pan, Shilie organization: Xinjiang Key Laboratory of Electronic Information Materials and Devices – sequence: 13 givenname: Hubert orcidid: 0000-0002-2098-6087 surname: Huppertz fullname: Huppertz, Hubert email: hubert.huppertz@uibk.ac.at organization: Universität Innsbruck |
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Snippet | 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... |
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SubjectTerms | Cations Chemistry Computer applications Harmonic generations high-pressure chemistry lanthanum borate Lattice parameters Magnetic resonance spectroscopy NMR NMR spectroscopy nonlinear optics Nuclear magnetic resonance Pressure Tetrahedra vibrational spectroscopy |
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Title | La3B6O13(OH): The First Acentric High‐Pressure Borate Displaying Edge‐Sharing BO4 Tetrahedra |
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