Abstract
The EPR zero-field splitting of Mn 2+ ions doped in single crystals of zinc fluoride hexahydrate series is studied by diagonalizing the complete energy matrices for d 5 configuration ions in a trigonal ligand field. By simulating the EPR parameters D and ( a − F) simultaneously, the local structure parameters R = 2.252 Å, θ = 52.6006° for ZnTiF 6 · 6H 2O:Mn 2+, R = 2.266 Å, θ = 52.5466° for ZnGeF 6 · 6H 2O:Mn 2+, and R = 2.226 Å, θ = 52.9195° for ZnNbOF 5 · 6H 2O:Mn 2+ are determined, respectively, in which R is the Mn–O bond length and θ is the angle between the Mn–O bond length and C 3 axis. From our calculations, it is found that when Mn 2+ doped in the isomorphous crystals there have a similar local distortion.
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