THEORETICAL CACULATING THE LIGAND-FIELD TRANSITION FREQUENT OF FERROUS INOS OF M1 SITE IN THE CRYSTAL STRUCTURE OF JADEITE
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Abstract
THe 3d radical wave function of Fe2+ ions proposed by Zhao and the calculating method of the ligand-field transition of Fe2+ ions of M 1 site in the crystal structure of diopside used by Xue were adopted in this paper.The calculated results show that there are three spin-allowed spectra of Fe2+ ions of M 1 site.The calculated energy of 9767cm-1 among these is in reasonable agreement with energy of stronger band 9718-9633cm-1 observed in the optical spectra of jadeite.
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