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

V. M. Vinokurov 1 Jean-Michel Gaite 2 G. R. Bulka 1 N. M. Khasanova 1 N. M. Nizamutdinov 1 A. A. Galeev 1 C. Rudowicz 1
1 KPFU - Kazan State University
2 ISTO - Institut des Sciences de la Terre d'Orléans
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.
Keywords : natrolite spin Hamiltonian low symmetry effect crystal field tensor invariants
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https://hal-insu.archives-ouvertes.fr/hal-00076878
Contributor : Nathalie Pothier <>
Submitted on : Monday, May 29, 2006 - 10:20:47 AM
Last modification on : Friday, April 5, 2019 - 8:08:23 PM

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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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