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Orientational disorder in Ni(ND3)6Br2: A two-dimensional thermodynamic rotation-translation model for the deuterium disorder

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Zeitschrift für Physik B Condensed Matter

Abstract

The ND3 group in Ni(ND3)6Br2 is orientationally disordered at room temperature: the D3 triangle gives rise to a density distribution with maxima on the corners of a square. We explain this observation as the consequence of a coupled rotational-translational motion of the molecule in a two-dimensional anharmonic single particle potential with tetragonal symmetry. Potential parameters are calculated from experimental data by a least squares procedure. From the total crystal potential of the D3 group we conclude that a combination of center of mass motion and rotation which is possible essentially without an energy barrier, is the basic process observed in quasielastic neutron scattering observations of the jump diffusion.

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Authors and Affiliations

  1. Institut für Kristallographie, Univesität Tübingen, D-7400, Tübingen, Germany

    P. Schiebel, A. Hoser & W. Prandl

  2. Laboratoire Commun, C.E.A.-C.N.R.S., CEN Saclay, Saclay, France

    G. Heger

Authors
  1. P. Schiebel
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  2. A. Hoser
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  3. W. Prandl
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  4. G. Heger
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Schiebel, P., Hoser, A., Prandl, W. et al. Orientational disorder in Ni(ND3)6Br2: A two-dimensional thermodynamic rotation-translation model for the deuterium disorder. Z. Physik B - Condensed Matter 81, 253–258 (1990). https://doi.org/10.1007/BF01309356

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  • DOI: https://doi.org/10.1007/BF01309356

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