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Mössbauer spectroscopy of minerals

II. Problem of resolving cis and trans octahedral Fe2+ sites

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We demonstrate by trade-off and error analysis of representative spectra that paramagnetic state Mössbauer Spectroscopy of 2∶1 layer silicates cannot resolve the octahedral Fe2+ cis (M2) and trans (M1) sites. We show that it is impossible to extract cis/trans population ratios from two Fe2+ doublet analyses of the spectra and that, instead, one has a single continuous Fe2+ quadrupole splitting distribution (QSD) that cannot reliably or uniquely be partitioned into its constituents. Whereas extracted cis/trans ratios do not contribute to evaluating site occupancies, the QSDs themselves in principle contain much local structural and chemical information that should be the focus of futur work.

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Rancourt, D.G. Mössbauer spectroscopy of minerals. Phys Chem Minerals 21, 250–257 (1994). https://doi.org/10.1007/BF00202139

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Key words

  • Mössbauer
  • spectral analysis
  • cis-site
  • transsite
  • layer silicate
  • mica