Abstract
AbstractOn the basis of the crystal field theory the energy matrices of a d5 ion in Cs (or C2) symmetry are derived, which are applicable to all orthorhombic and tetragonal symmetries. Using the perturbation theory the analytical expressions connecting the zero‐field splitting parameters with the crystal field parameters are obtained for a 6S‐state ion in arbitrary symmetry. It is shown that the zero‐field splitting of Mn2+ on Ca(II) sites in Ca5(PO4)3F, possessing Cs point symmetry, can be reasonably understood by the spin–orbit coupling mechanism, and that the d–d transitions can be interpreted well by the crystal field model proposed by Zhao et al.
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