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

Abstract : 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.
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Submitted on : Monday, May 29, 2006 - 10:20:47 AM
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V. M. Vinokurov, Jean-Michel Gaite, G. R. Bulka, N. M. Khasanova, N. M. Nizamutdinov, et al.. Low-Symmetry Spin Hamiltonian and Crystal Field Tensors Analysis: Fe3+ in Natrolite. Journal of Magnetic Resonance, Elsevier, 2002, 155, pp.(1) 57-63. ⟨10.1006/jmre.2002.2512⟩. ⟨hal-00076878⟩



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