The application of Raman spectroscopy to djerfisherite identification

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  • Published: Jul 26, 2017
  • Author: Alexander V. Golovin, Sergey V. Goryainov, Svetlana N. Kokh, Igor S. Sharygin, Sergey V. Rashchenko, Konstantin A. Kokh, Ella V. Sokol, Anna S. Devyatiyarova
  • Journal: Journal of Raman Spectroscopy

Raman spectra were acquired from the synthetic cubic K6Fe25S26Cl phase (55.3 wt% Fe) and ten natural djerfisherites K6(Fe,Cu,Ni)25S26Cl with various contents of Fe (from 15.5 to 22.6 atoms per formula unit (apfu)) and Ni + Cu + Co (from 1.4 to 9.0 apfu). The natural samples came from rocks of the Udachnaya, Obnazhennaya and Vtorogodnitsa kimberlite pipes and high‐grade contact marbles near Kochumdek River (Siberian craton, Russia). Diagnostic features of both synthetic and natural djerfisherite Raman spectra can be summarized as follows: the presence of two strong bands at 264–273 and 321–344 cm−1 and from two to five medium/weak bands in the region from 90 to 190 cm−1. Raman spectra of Fe‐rich ((Ni + Cu + Co) < 2.4 apfu) djerfisherite have up to nine bands, whereas the number of Raman bands in spectra of djerfisherite with high impurity concentration ((Ni + Cu + Co) = 8.7–9 apfu) reduces to four. The Raman spectra of djerfisherite enriched in impurities ((Ni + Cu + Co) = 5–9 apfu) are also characterized by broadening and asymmetry of bands in comparison with Ni + Cu + Co‐poor djerfisherite. Experimental Raman spectra of synthetic and natural djerfisherites show good agreement with theoretical spectra calculated using lattice‐dynamical software. The group of bands in the range 90–190 cm−1 is associated with the S–Fe–S bending vibrations in FeS4 tetrahedra and FeS6 octahedra. The band group in the range of 260–350 cm−1 is due to the Fe–S stretching vibrations in both polyhedra. Copyright © 2017 John Wiley & Sons, Ltd.

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