Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1406303 | Journal of Molecular Structure | 2011 | 5 Pages |
Abstract
Endemic mineral nežilovite was studied by vibrational spectroscopy (IR and Raman), quantum theoretical methods and X-ray powder diffraction. Experimental Raman as well as the higher-frequency region of the infrared spectra of this mineral closely resembles to the corresponding spectra of magnetoplumbite-group minerals, while the appearance of the lower-frequency part of the IR spectra is markedly similar to the corresponding region in Ba-ferrite. Essentially, all bands in the experimental spectra were tentatively assigned. In most cases, the assignments were either supported or implied by the theoretical data obtained on the basis of plane-wave pseudopotential density functional theory (DFT) calculations.
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Authors
Nikolina Stamatovska, Petre Makreski, Ljupčo Pejov, Gligor Jovanovski,