2008) Theoretical study of the dependence of EPR spectra on local structure for octahedral Cr 3+ centres in oxides and fluorides series, Molecular Physics, 106:8, 999-1006,A theoretical method for investigating the inter-relation between the EPR parameters and local structure has been established on the basis of the complete energy matrices for 3d 3 configuration ions in both the trigonal and tetragonal ligand fields. By means of this method, the local structure of the octahedral Cr 3þ centres in double molybdates series and spinels series as well as the perovskite-type fluorides series has been studied systematically. Furthermore, the dependence of the EPR zero-field splitting parameter D on the local structure parameters in both trigonal and tetragonal ligand-fields has been revealed, simultaneously. The inter-relation between the EPR parameters D and Ág(g // À g ? ) is also elucidated.
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