Cyanide-orientation distribution by single-crystal NMR of K(CN)xBr1x

J. H. Walton and Mark S. Conradi
Phys. Rev. B 41, 6234 – Published 1 April 1990
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Abstract

Single crystals of K(CN)xBr1x enriched in N15 have been studied by N15 NMR. Because of the anisotropic chemical shift, the NMR frequency spectrum of the orientational glass state reflects the distribution of cyanide orientations. By studying the spectrum at many crystal orientations, the orientation distribution function P(Ω) has been determined for x=0.50 and 0.20. The probability function is largest along [100] directions, intermediate in [110] directions, and nearly zero along [111] axes. The NMR determined P(Ω) is presented graphically and in terms of the Kubic harmonic functions. The NMR results are in sharp contrast to molecular-dynamics calculations but agree with neutron scattering data for x=0.53.

  • Received 17 October 1989

DOI:https://doi.org/10.1103/PhysRevB.41.6234

©1990 American Physical Society

Authors & Affiliations

J. H. Walton and Mark S. Conradi

  • Department of Physics, Washington University, St. Louis, Missouri 63130

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Vol. 41, Iss. 10 — 1 April 1990

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