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Features of anionic isomorphism in fluoride borates

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Abstract

In the work the structures of fluoride borates demonstrating the substitution with the stoichiometry (BO3)3− ↔ 3F− are analyzed and the specific role of tetrahedral anionic [X4]4− groups is revealed in this substitution. The possibility of the F-F interaction in [F4]4− groups uncharacteristic of ionic crystals is confirmed by ab initio quantum chemical simulation of the crystal structure of Ba4−x Sr3+x (BO3)4−y F2+3y .

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References

  1. C. Chen, T. Sasaki, R. Li, et al., Nonlinear Optical Borate Crystals: Principals and Applications, Wiley-VCH Verlag, Weinheim, Germany (2012).

    Book  Google Scholar 

  2. L. R. Batsanova, V. A. Egorov, and A. V. Nikolaev, Dokl. AN SSSR, 176, No. 6, 1317 (1968).

    Google Scholar 

  3. L. P. Solov’eva and V. V. Bakakin, Kristallografiya, 15, 922 (1970).

    Google Scholar 

  4. L. Mei, X. Huang, Y. Wang, et al., Z. Kristallogr., 210, 93 (1995).

    Article  CAS  Google Scholar 

  5. V. V. Bakakin, I. A. Baidina, L. R. Batsanova, et al., J. Struct. Chem., 16, No. 6, 963–965 (1975).

    Google Scholar 

  6. C. Chen, S. Luo, X. Wang et al., J. Opt. Soc. Am. B: Opt. Phys., 26, 1519 (2009).

    Article  CAS  Google Scholar 

  7. H. Huang, C. Chen, X. Wang, et al., J. Opt. Soc. Am. B: Opt. Phys., 28, 2186 (2011).

    Article  CAS  Google Scholar 

  8. Z. Hu, Y. Yue, X. Chen, et al., Solid State Sci., 13, 875 (2011).

    Article  CAS  Google Scholar 

  9. Y. Yue, Z. Hu, Y. Zhou, et al., J. Opt. Soc. Am. B: Opt. Phys., 28, 861 (2011).

    Article  CAS  Google Scholar 

  10. R. K. Li and P. Chen, Inorg. Chem., 49, 1561 (2010).

    Article  CAS  Google Scholar 

  11. W. Zhao, W. Zhou, M. Song, et al., Opt. Mater. (Amst.), 33, 647 (2011).

    Article  CAS  Google Scholar 

  12. A. E. Kokh, N. G. Kononova, T. B. Bekker, et al., Crystallogr. Rep., 54, 146 (2009).

    Article  CAS  Google Scholar 

  13. V. D. Antsygin, A. A. Mamrashev, N. A. Nikolaev, et al., Opt. Commun., 309, 333 (2013).

    Article  CAS  Google Scholar 

  14. G. A. Lager, T. Armbruster, F. J. Rotella, and G. R. Rossman, Am. Mineral., 74, 840 (1989).

    CAS  Google Scholar 

  15. A. A. Brovkin and L. V. Nikishova, Sov. Phys. Crystallogr., 20, 452 (1975).

    Google Scholar 

  16. W. Schreyer, T. Armbruster, H.-J. Bernhardt, and O. Medenbach, Eur. J. Mineral., 15, 1007 (2003).

    Article  CAS  Google Scholar 

  17. E. Antic-Fidancev, G. Corbel, N. Mercier, and M. Leblane, J. Solid State Chem., 153, 270 (2000).

    Article  CAS  Google Scholar 

  18. S. V. Rashchenko, T. B. Bekker, V. V. Bakakin, et al., Cryst. Growth Des., 12, 2955 (2012).

    Article  CAS  Google Scholar 

  19. T. B. Bekker, S. V. Rashchenko, V. V. Bakakin, et al., CrystEngComm, 14, 6910 (2012).

    Article  CAS  Google Scholar 

  20. S. V. Rashchenko, T. B. Bekker, V. V. Bakakin, et al., J. Appl. Crystallogr., 46, 1081 (2013).

    Article  CAS  Google Scholar 

  21. A. Vegas, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 41, 1689 (1985).

    Article  Google Scholar 

  22. S. V. Borisov, J. Struct. Chem., 37, 773 (1996).

    Article  Google Scholar 

  23. G. Zou, N. Ye, L. Huang, and X. Lin, J. Am. Chem. Soc., 133, 20001 (2011).

    Article  CAS  Google Scholar 

  24. I. Alkorta and J. Elguero, Struct. Chem., 15, 117 (2004).

    Article  CAS  Google Scholar 

  25. T. Drews, J. Supel, A. Hagenbach, and K. Seppelt, Inorg. Chem., 45, 3782 (2006).

    Article  CAS  Google Scholar 

  26. S. Schmid, J. Senker, and W. Schnick, J. Solid State Chem., 174, 221 (2003).

    Article  CAS  Google Scholar 

  27. L. V. Nikishova, A. A. Brovkin, E. A. Kuz’min, and S. L. Pyatkin, J. Struct. Chem., 12, 164 (1971).

    Article  Google Scholar 

  28. I. O. Galuskina, M. Kadiyski, T. Armbruster, et al., Eur. J. Mineral., 20, 951 (2008).

    Article  CAS  Google Scholar 

  29. G. Corbel, R. Retoux, and M. Leblanc, J. Solid State Chem., 139, 52 (1998).

    Article  CAS  Google Scholar 

  30. P. Gravereau, B. Es-Sakhi, and C. Fouassier, Acta Crystallogr., Sect. C: Cryst. Struct. Commun., 44, 1884 (1988).

    Article  Google Scholar 

  31. A. Haberer, R. Kaindl, and H. Huppertz, Solid State Sci., 12, 515 (2010).

    Article  CAS  Google Scholar 

  32. R. F. W. Bader, Atoms in Molecules: a Quantum Theory, Clarendon Press, Oxford, UK (1990).

    Google Scholar 

  33. Amsterdam Density Functional (ADF) program, release 2012.02, Vrije Universteit, Netherlands (2012).

  34. E. Van Lenthe and E. J. Baerends, J. Comput. Chem., 24, 1142 (2003).

    Article  Google Scholar 

  35. S. H. Vosko, L. Wilk, and M. Nusair, Can. J. Phys., 58, 1200 (1980).

    Article  CAS  Google Scholar 

  36. A. D. Becke, Phys. Rev. A: At. Mol. Opt. Phys., 38, 3098 (1988).

    Article  CAS  Google Scholar 

  37. J. P. Perdew, Phys. Rev. B: Condens. Matter, 33, 8822 (1986).

    Article  Google Scholar 

  38. E. V. Sokolova, Yu. K. Egorov-Tismenko, S. V. Kargal’tsev, et al., Vestn. Mosk. Univ., Ser. 4: Geol., 42, 82 (1987).

    Google Scholar 

  39. H. Muller-Bunz and T. Schleid, Z. Anorg. Allg. Chem., 628, 2750 (2002).

    Article  Google Scholar 

  40. A. Haberer and H. Huppertz, J. Solid State Chem., 182, 888 (2009).

    Article  CAS  Google Scholar 

Download references

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Authors and Affiliations

  1. Sobolev Institute of Geology and Mineralogy, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia

    S. V. Rashchenko & T. B. Bekker

  2. Novosibirsk State Research University, Novosibirsk, Russia

    S. V. Rashchenko, S. G. Kozlova & T. B. Bekker

  3. Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia

    V. V. Bakakin & S. G. Kozlova

  4. Prokhorov Institute of General Physics, Russian Academy of Sciences, Moscow, Russia

    P. P. Fedorov

  5. Belgorod State Technological University, Belgorod, Russia

    S. G. Kozlova

Authors
  1. S. V. Rashchenko
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  2. V. V. Bakakin
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  3. S. G. Kozlova
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  4. T. B. Bekker
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  5. P. P. Fedorov
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Corresponding author

Correspondence to S. V. Rashchenko.

Additional information

Original Russian Text © 2015 S. V. Rashchenko, V. V. Bakakin, S. G. Kozlova, T. B. Bekker, P. P. Fedorov.

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Translated from Zhurnal Strukturnoi Khimii, Vol. 56, No. 1, pp. 91–98, January–February, 2015.

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Rashchenko, S.V., Bakakin, V.V., Kozlova, S.G. et al. Features of anionic isomorphism in fluoride borates. J Struct Chem 56, 85–91 (2015). https://doi.org/10.1134/S0022476615010126

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  • DOI: https://doi.org/10.1134/S0022476615010126

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