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Zeitschrift für Naturforschung B

A Journal of Chemical Sciences


IMPACT FACTOR 2018: 0.961

CiteScore 2018: 0.91

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1865-7117
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Volume 72, Issue 1

Issues

High-pressure synthesis and crystal structure of In3B5O12

Daniela Vitzthum
  • Institut für Allgemeine, Anorganische und Theoretische Chemie, Leopold-Franzens-Universität Innsbruck, A-6020 Innsbruck, Austria
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Michael Schauperl
  • Institut für Allgemeine, Anorganische und Theoretische Chemie, Leopold-Franzens-Universität Innsbruck, A-6020 Innsbruck, Austria
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Klaus R. Liedl
  • Institut für Allgemeine, Anorganische und Theoretische Chemie, Leopold-Franzens-Universität Innsbruck, A-6020 Innsbruck, Austria
  • Other articles by this author:
  • De Gruyter OnlineGoogle Scholar
/ Hubert Huppertz
  • Corresponding author
  • Institut für Allgemeine, Anorganische und Theoretische Chemie, Leopold-Franzens-Universität Innsbruck, Innrain 80–82, A-6020 Innsbruck, Austria
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  • Other articles by this author:
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Published Online: 2016-11-19 | DOI: https://doi.org/10.1515/znb-2016-0211

Abstract

Orthorhombic In3B5O12 was synthesized in a Walker-type multianvil apparatus under high-pressure/high-temperature conditions of 12.2 GPa and 1500°C. Its structure is isotypic to the rare earth analogs RE3B5O12 (RE=Sc, Er–Lu). In the field of indium borate chemistry, In3B5O12 is the third known ternary indium borate besides InBO3 and InB5O9. The crystal structure of In3B5O12 has been determined via single-crystal X-ray diffraction data collected at room temperature. It crystallizes in the orthorhombic space group Pmna with the lattice parameters a=12.570(2), b=4.5141(4), c=12.397(2) Å, and V=703.4(2) Å3. IR and Raman bands of In3B5O12 were theoretically determined and assigned to experimentally recorded spectra.

Keywords: crystal structure; density functional theory; high pressure; indium borate; IR and Raman spectroscopy

References

  • [1]

    S. C. Neumair, S. Vanicek, R. Kaindl, D. M. Toebbens, K. Wurst, H. Huppertz, J. Solid State Chem. 2011, 184, 2490.Google Scholar

  • [2]

    S. C. Neumair, G. Sohr, S. Vanicek, K. Wurst, R. Kaindl, H. Huppertz, Z. Anorg. Allg. Chem. 2012, 638, 81.Google Scholar

  • [3]

    S. C. Neumair, S. Vanicek, R. Kaindl, D. M. Többens, C. Martineau, F. Taulelle, J. Senker, H. Huppertz, Eur. J. Inorg. Chem. 2011, 2011, 4147.Google Scholar

  • [4]

    G. Sohr, S. C. Neumair, H. Huppertz, Z. Naturforsch. 2012, 67b, 1197.Google Scholar

  • [5]

    G. Sohr, D. M. Többens, J. Schmedt auf der Günne, H. Huppertz, Chem. Eur. J. 2014, 20, 17059.Google Scholar

  • [6]

    G. Sohr, S. C. Neumair, G. Heymann, K. Wurst, J. Schmedt auf der Günne, H. Huppertz, Chem. Eur. J. 2014, 20, 4316.Google Scholar

  • [7]

    G. Sohr, D. Wilhelm, D. Vitzthum, M. K. Schmitt, H. Huppertz, Z. Anorg. Allg. Chem. 2014, 640, 2753.Google Scholar

  • [8]

    J. S. Knyrim, F. Roessner, S. Jakob, D. Johrendt, I. Kinski, R. Glaum, H. Huppertz, Angew. Chem. Int. Ed. 2007, 46, 9097.Google Scholar

  • [9]

    J. S. Knyrim, H. Emme, M. Doeblinger, O. Oeckler, M. Weil, H. Huppertz, Chem. Eur. J. 2008, 14, 6149.Google Scholar

  • [10]

    S. C. Neumair, J. S. Knyrim, R. Glaum, H. Huppertz, Z. Anorg. Allg. Chem. 2009, 635, 2002.Google Scholar

  • [11]

    J. S. Knyrim, J. Friedrichs, S. Neumair, F. Roeßner, Y. Floredo, S. Jakob, D. Johrendt, R. Glaum, H. Huppertz, Solid State Sci. 2008, 10, 168.Google Scholar

  • [12]

    H. Huppertz, G. Heymann, Solid State Sci. 2003, 5, 281.Google Scholar

  • [13]

    S. C. Neumair, J. S. Knyrim, O. Oeckler, R. Glaum, R. Kaindl, R. Stalder, H. Huppertz, Chem. Eur. J. 2010, 16, 13659.Google Scholar

  • [14]

    G. Sohr, N. Ciaghi, K. Wurst, H. Huppertz, Z. Naturforsch. 2015, 70b, 183.Google Scholar

  • [15]

    H. Emme, H. Huppertz, Chem. Eur. J. 2003, 9, 3623.Google Scholar

  • [16]

    H. Emme, H. Huppertz, Acta Crystallogr. 2005, C61, i29.Google Scholar

  • [17]

    H. Huppertz, S. Altmannshofer, G. Heymann, J. Solid State Chem. 2003, 170, 320.Google Scholar

  • [18]

    H. Emme, H. Huppertz, Acta Crystallogr. 2005, C61, i23.Google Scholar

  • [19]

    H. Huppertz, B. von der Eltz, J. Am. Chem. Soc. 2002, 124, 9376.Google Scholar

  • [20]

    H. Huppertz, Z. Naturforsch. 2003, 58b, 278.Google Scholar

  • [21]

    S. C. Neumair, H. Huppertz, Z. Naturforsch. 2009, 64b, 1339.Google Scholar

  • [22]

    H. Emme, M. Valldor, R. Pöttgen, H. Huppertz, Chem. Mater. 2005, 17, 2707.Google Scholar

  • [23]

    J. R. Cox, D. A. Keszler, Acta Crystallogr. 1994, C50, 1857.Google Scholar

  • [24]

    R. Cong, T. Yang, H. Li, F. Liao, Y. Wang, J. Lin, Eur. J. Inorg. Chem. 2010, 2010, 1703.Google Scholar

  • [25]

    H. Huppertz, Z. Kristallogr. 2004, 219, 330.Google Scholar

  • [26]

    D. Walker, M. A. Carpenter, C. M. Hitch, Am. Mineral. 1990, 75, 1020.Google Scholar

  • [27]

    D. Walker, Am. Mineral. 1991, 76, 1092.Google Scholar

  • [28]

    Win Xpow Index (version 2.7.2), STOE & Cie GmbH, Darmstadt (Germany) 2003.Google Scholar

  • [29]

    Sadabs 2014/5, Bruker Analytical X-ray Instruments Inc., Madison, WI (USA) 2001.Google Scholar

  • [30]

    G. M. Sheldrick, Acta Crystallogr. 2008, A64, 112.CrossrefGoogle Scholar

  • [31]

    G. M. Sheldrick, Acta Crystallogr. 2015, C71, 3.CrossrefGoogle Scholar

  • [32]

    L. J. Farrugia, J. Appl. Crystallogr. 2012, 45, 849.Google Scholar

  • [33]

    L. Gelato, E. Parthé, J. Appl. Crystallogr. 1987, 20, 139.Google Scholar

  • [34]

    A. L. Spek, Acta Crystallogr. 2009, D65, 148.CrossrefGoogle Scholar

  • [35]

    Opus (version 7.2), Bruker, Billerica, MA (USA) 2012.Google Scholar

  • [36]

    LabSpec (version 5), HORIBA Jobin Yvon S.A.S., Villeneuve d’Ascq (France) 2010.Google Scholar

  • [37]

    R. Dovesi, R. Orlando, A. Erba, C. M. Zicovich-Wilson, B. Civalleri, S. Casassa, L. Maschio, M. Ferrabone, M. De La Pierre, P. D’Arco, Int. J. Quantum Chem. 2014, 114, 1287.Google Scholar

  • [38]

    Crystal 14, University of Torino, Torino (Italy) 2014.Google Scholar

  • [39]

    A. D. Becke, Phys. Rev. 1988, A38, 3098.CrossrefGoogle Scholar

  • [40]

    C. Lee, W. Yang, R. G. Parr, Phys. Rev. 1988, B37, 785.CrossrefGoogle Scholar

  • [41]

    P. Stephens, F. Devlin, C. Chabalowski, M. J. Frisch, J. Phys. Chem. 1994, 98, 11623.Google Scholar

  • [42]

    J. Heyd, J. E. Peralta, G. E. Scuseria, R. L. Martin, J. Chem. Phys. 2005, 123, 174101.Google Scholar

  • [43]

    R. T. Shannon, C. T. Prewitt, Acta Crystallogr. 1969, B25, 925.Google Scholar

  • [44]

    R. T. Shannon, Acta Crystallogr. 1976, A32, 751.Google Scholar

  • [45]

    F. Liebau, Structural Chemistry of Silicates, Springer-Verlag, Berlin, 1985.Google Scholar

  • [46]

    M. Marezio, Acta Crystallogr. 1966, 20, 723.Google Scholar

  • [47]

    R. Hoppe, Angew. Chem. 1966, 78, 52.Google Scholar

  • [48]

    R. Hoppe, Angew. Chem. 1970, 82, 7.Google Scholar

  • [49]

    R. Hübenthal, Maple (version 4), University of Gießen, Gießen (Germany) 1993.Google Scholar

  • [50]

    I. D. Brown, D. Altermatt, Acta Crystallogr. 1985, B41, 244.CrossrefGoogle Scholar

  • [51]

    N. E. Brese, M. O’Keeffe, Acta Crystallogr. 1991, B47, 192.Google Scholar

  • [52]

    R. Hoppe, Z. Kristallogr. 1979, 150, 23.Google Scholar

  • [53]

    R. Hoppe, S. Voigt, H. Glaum, J. Kissel, H. P. Müller, K. Bernet, J. Less-Common Met. 1989, 156, 105.Google Scholar

  • [54]

    D. Liu, W. Lei, S. Qin, L. Hou, Z. Liu, Q. Cui, Y. Chen, J. Mater. Chem. 2013, 1, 5274.Google Scholar

  • [55]

    C. T. Prewitt, R. D. Shannon, Acta Crystallogr. 1968, B24, 869.Google Scholar

About the article

Received: 2016-09-14

Accepted: 2016-10-06

Published Online: 2016-11-19

Published in Print: 2017-01-01


Citation Information: Zeitschrift für Naturforschung B, Volume 72, Issue 1, Pages 69–76, ISSN (Online) 1865-7117, ISSN (Print) 0932-0776, DOI: https://doi.org/10.1515/znb-2016-0211.

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