Lattice sum contributions have been calculated at the two octahedral sites in a phlogopite mica assuming a systematic distribution of octahedral cationic charges. This, unlike the case of a random distribution of charges, is able to reproduce broad features of quadrupole doublet spectra in Mössbauer experiments suggesting that the doublet assignments in terms of the two structural sites,M1 (trans) andM2(cis), are quite valid. Angle dependence of Mössbauer spectra has also been studied for a ferric-rich phlogopite mica sheet to determine the orientation of the EFG principal axis component and the sign of the quadrupole coupling constant. Quadrupole splitting values and the positive sign of coupling constants match the theoretical predictions quite well but the model fails to predict the observed EFG orientation.
Volume 94, 2020
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