Abstract
The presence of Fe 3+ centers with trigonal symmetry in chlorinated SrCl 2 crystal is an interesting phenomenon. By diagonalizing the complete energy matrices for a d 5 configuration ion in a trigonal ligand-field and simulating the EPR low-symmetry parameters D and ( a− F) simultaneously, the local lattice structure around trigonal Fe 3+ center in SrCl 2:Fe 3+ system has been studied. It is shown that Nistor et al.'s viewpoint about replacement is right, but the Cl − ion along 〈111〉 axis around the Fe 3+ center is replaced not by an O 2− ion but by some negative ion with effective charge to be less than that of Cl − ion. Our results indicate that when the ratio of the effective charge of the negative ion to that of Cl − ion is 0.8 as well as the distortion angle of the upper triangle is Δ θ=−4.682°, the EPR parameters D and ( a− F) can be explained satisfactorily.
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