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A20(3cos21) 5( )qi θi−Vzz latt = ∑= A320i RπiV zz(Fe)= ∑ PsVzz(s)sFor high-spin Fe 3+ , the half-filled shellis spherically symmetric, V zz (Fe)=0.=4π∆(Fe3+)5 η2eQ(1+ )1/ 23Perfect octahedronA 20 =0, ∆(Fe 3+ )=0singletDistorted octahedronA 20 ≠0, ∆(Fe 3+ )≠0doubletMossbauer spectroscopy candetermine local structural distortion
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