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The absorption spectra of Cr- and V-jarosite are also assigned to transitions predicted for the tetragonal distortion associated with steel ion coordination. The digital term symbols are exercised utilising the correlation diagram and Tanabe-Sugano drawing for orbital splitting for all three methods employing ab initio and DFT methods. The bandgaps were calculated and corroborated aided by the experimentally measured values to support the low symmetry during the metal center.Pe
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