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Epr of substitutional fe3 in a natural crystal of brookite (tio2) Rostworowski, Juan Adalberto

Abstract

EPR spectra of Fe³⁺ in a natural crystal of brookite have been investigated at X- and Q-band frequencies at room temperature and 573°K. Part of the paramagnetic resonance spectrum observed has been interpreted on the assumption that Fe³⁺occupies eight equivalent Ti⁴⁺ sites in brookite, with four inequivalent orientations.. The spectra show an "intermediate" zero-field splitting at X-band and a "normal" zero field splitting at Q-band frequencies. The spin Hamiltonian parameters which fit the spectra are the following: g = 2.002 ± 0.005 . D = (1170 ± 30) x 10⁻⁴cm⁻¹ E = (330 ± 20) x 10⁻⁴cm⁻¹ [pa + (l/l2)qF]₀₁₀ = (13±10) x 10⁻⁴cm⁻¹ [pa + (l/l2)qF]₁₀₀ = (-13±15) x l0⁻⁴cm⁻¹ [pa + (l/l2)qF]₀₀₁ = (-66±4) x l0⁻⁴cm⁻¹

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