Low-Symmetry Spin Hamiltonian and Crystal Field Tensors Analysis: Fe3+ in Natrolite

Electron paramagnetic resonance study of a natural single crystal of natrolite was carried out at the frequency ν=36.772 GHz at room temperature. The angular dependence of the four symmetry-related spectra of Fe3+ in the three crystallographic planes was fitted to a spin Hamiltonian (S=5/2) of symme...

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Bibliographic Details
Published in:Journal of magnetic resonance (1997) 2002-03, Vol.155 (1), p.57-63
Main Authors: Vinokurov, V.M., Gaite, J.M., Bulka, G.R., Khasanova, N.M., Nizamutdinov, N.M., Galeev, A.A., Rudowicz, C.
Format: Article
Language:English
Subjects:
Earth Sciences
Geophysics
Sciences of the Universe
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Summary:Electron paramagnetic resonance study of a natural single crystal of natrolite was carried out at the frequency ν=36.772 GHz at room temperature. The angular dependence of the four symmetry-related spectra of Fe3+ in the three crystallographic planes was fitted to a spin Hamiltonian (S=5/2) of symmetry Ci. The rank 4 crystal field tensors at tetrahedral sites were calculated using the point-charge model to determine the principal axes orientations of their cubic and trigonal components. The analysis of zero-field splitting tensors and comparison with crystal field ones suggests that Fe3+ substitutes for Al3+ with no significant distortion of the coordination tetrahedron in natrolite. Comparison of data for several natural and synthetic crystals reveals that the 4-rank zero-field splitting tensor invariants for Fe3+ at the tetrahedral oxygen-coordinated sites are distinguishably smaller than those for Fe3+ at octahedral sites. Such comparative analysis may help to determine the substitutional sites in other crystals.
ISSN:1090-7807
1096-0856
DOI:10.1006/jmre.2002.2512