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Refinement of hydrogen positions in (NH4)2SeO4

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Abstract

The crystal structure of ammonium selenate has been studied by means of single crystal x-ray and neutron diffraction with the purpose of the refinement of hydrogen positions. The refined hydrogen positions obtained by single crystal neutron diffraction show that N-H bond lengths form a regular tetrahedron in an ammonium ion. The single crystal x-ray diffraction data show that N-H bond lengths are shorter than those obtained by neutron diffraction and are not equal between themselves. Thus, the comparison of the results of x-ray and neutron diffraction allows one to suggest that the shorter N-H bond lengths obtained by x-ray diffraction reflect the distribution of the electron charge density of ammonium ions within the (NH4)2SeO4 crystal lattice.

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Authors and Affiliations

  1. Hahn-Meitner Institute, BENSC, Berlin, Germany

    A. Loose

  2. Institut für Anorganische und Analytische Chemie, Johannes Gutenberg-Universität, Mainz, Mainz, Germany

    G. Melnyk & N. Zink

  3. University of Warsaw, Warsaw, Poland

    K. Wozniak & P. Dominiak

  4. Frank Laboratory of Neutron Physics, Joint Institute of Nuclear Research, Dubna, Moscow oblast, Russia

    L. S. Smirnov & A. Pawlukojc

  5. Institute of Nuclear Chemistry and Technology, Warsaw, Poland

    A. Pawlukojc

  6. Shubnikov Institute of Crystallography, Russian Academy of Sciences, Moscow, Russia

    L. A. Shuvalov

Authors
  1. L. S. Smirnov
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  2. G. Melnyk
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  3. N. Zink
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  4. K. Wozniak
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  5. P. Dominiak
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  6. A. Pawlukojc
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  7. L. A. Shuvalov
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  8. A. Loose
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The text was submitted by the authors in English.

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Smirnov, L.S., Melnyk, G., Zink, N. et al. Refinement of hydrogen positions in (NH4)2SeO4 . J. Surf. Investig. 1, 113–119 (2007). https://doi.org/10.1134/S1027451007010235

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  • DOI: https://doi.org/10.1134/S1027451007010235

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