Advertisement

Polarized Raman spectroscopy and lattice dynamics of potassic-magnesio-arfvedsonite

  • Victor G. Ivanov
  • Momchil Dyulgerov
  • Roberta Oberti
Original Paper
  • 19 Downloads

Abstract

We report polarized Raman spectra from potassic-magnesio-arfvedsonite in all informative scattering configurations. On the basis of the polarization selection rules, several Ag vibrational modes have been identified. The Bg modes, however, are below the detection limits of the Raman spectrometer. The OH stretching band is situated between 3630 and 3750 cm−1, and its spectral shape is typical of amphiboles with high occupancy of the A site. It is composed of seven overlapping but resolvable subbands, which stem from occupied A-site configurations M(1)M(1)M(3)–OH–A(K/Na)–WOH and M(1)M(1)M(3)–OH–A(K/Na)–WF, as well as from vacant A-site configurations M(1)M(1)M(3)–OH–A□–WOH, with different Mg and Fe occupancy of the M(1) and M(3) sites. The experimental Raman spectra are compared with the results of theoretical calculations based on a shell-model force-field and a bond polarizability model. The simulated partial Raman spectra allowed us to assign many low-frequency Raman bands to stretching vibrations involving specific cation-oxygen bonds, as well as the higher-frequency modes of the Si–O skeleton. On the basis of our calculations we hypothesize that the Raman bands at 467, 540 and 589 cm−1 are related to a superposition of M(2)Fe3+–O bond stretching and Si–O–Si bending vibrations.

Keywords

Amphibole Arfvedsonite Potassic-magnesio-arfvedsonite Raman spectroscopy Lattice dynamics calculation 

Notes

Acknowledgements

This work was supported by the Grant DH 14/8 of the National Science Fund of the Ministry of Education and Science of Bulgaria.

References

  1. Apopei IA, Buzgar N (2010) The Raman study of amphiboles. Sci Ann Alexandru Ioan Cuza Univ Iasi Geol 56:57–83Google Scholar
  2. Chen T-H, Calligaro T, Pagès-Camagna S, Menu M (2004) Investigation of Chinese archaic jade by PIXE and µRaman spectrometry. J Appl Phys A 79:177–180CrossRefGoogle Scholar
  3. Della Ventura G, Robert J-L, Bény J-M, Raudsepp M, Howthorne FC (1993) The OH–F substitution in Ti-rich potassium richterite: Rietveld structure refinement and FTIR and micro-Ramans spectroscopic studies of synthetic amphiboles in the system K2O–Na2O–CaO–MgO–SiO2–TiO2–H2O–HF. Am Mineral 78:980–987Google Scholar
  4. Della Ventura G, Oberti R, Hawthorne FC, Bellatreccia F (2007) FTIR spectroscopy of Ti-rich pargasites from Lherz and the detection of O2− at the anionic O3 site in amphiboles. Am Mineral 92:1645–1651CrossRefGoogle Scholar
  5. Della Ventura G, Mihailova B, Susta U, Guidi MC, Marcelli A, Schlüter J, Oberti R (2018) The dynamics of Fe oxidation in riebeckite: a model for amphiboles. Am Mineral 103:1103–1111CrossRefGoogle Scholar
  6. Dick BG, Overhauser AW (1958) Theory of the dielectric constants of alkali halide crystals. Phys Rev 112:90–103CrossRefGoogle Scholar
  7. Dyulgerov M, Platevoet B (2006) Unusual Ti and Zr aegirine–augite and potassic magnesio-arfvedsonite in the peralkaline potassic rocks from Buhovo-Seslavtzi complex, Bulgaria. Eur J Mineral 18:127–138CrossRefGoogle Scholar
  8. Dyulgerov M, Platevoet B, Oberti R, Kadiyski M, Rusanov V (2017) Potassic-magnesio-arfvedsonite, IMA 2016-083. CNMNC Newsletter No. 35, February 2017, page 149. Eur J Mineral 29:149–152CrossRefGoogle Scholar
  9. Dyulgerov M, Oberti R, Platevoet B, Kadiiski M, Rusanov V (2018) Potassic-magnesio-arfvedsonite—KNa2(MgFe2+Fe3+)5Si8O22(OH)2: mineral description and crystal chemistry. Mineral Mag (accepted) Google Scholar
  10. Fornero E, Allegrina M, Rinaudo C, Mazziotti-Tagliani S, Gianfafagna A (2008) Micro-Raman spectroscopy applied on oriented crystals of fluoro-edenite amphibole. Per Mineral 77(2):5–14Google Scholar
  11. Gale JD, Rohl AL (2003) The general utility lattice program (GULP). Mol Simul 29:291–341CrossRefGoogle Scholar
  12. Go S, Bilz H, Cardona M (1974) Bond charge, bond polarizability, and phonon spectra in semiconductors. Phys Rev Lett 34:580–583CrossRefGoogle Scholar
  13. Goryaeva AM, Carrez P, Cordier P (2015) Modeling defects and plasticity in MgSiO3 postperovskite: part 1—generalized stacking faults. Phys Chem Miner 42:781–792CrossRefGoogle Scholar
  14. Hanumantha Rao K, Kundu TK, Parker SC (2012) Molecular modeling of mineral surface reactions in flotation. In: Rai B (ed) Molecular modeling for the design of novel performance chemicals and materials. CRC Press, Boca Raton, pp 65–105.  https://doi.org/10.1201/b11590 Google Scholar
  15. Hassanali AA, Singer SJJ (2007) Model for the water—amorphous silica interface: the undissociated surface. Phys Chem B 111:11181–11193CrossRefGoogle Scholar
  16. Hawthorne FC, Ventura GD (2007) Short-range order in amphiboles. In: Hawthorne FC, Oberti R, Ventura GD, Mottana A (eds) Review in mineralogy and geochemistry, vol 67. Mineralogical Society of America and Geochemical Society, Washington DC, pp 173–222Google Scholar
  17. Kloprogge JT, Visser D, Ruan H, Frost RL (2001) Infrared and Raman spectroscopy of holmquistite, Li2(Mg,Fe2+)3(Al,Fe3+)2(Si,Al)8O22(OH)2. J Mater Sci Lett 20:1497–1499CrossRefGoogle Scholar
  18. Leissner L, Schlüte J, Horn I, Mihailova B (2015a) Crystal chemistry of amphiboles by Raman spectroscopy. Periodico di Mineralogia ECMS 2015:109–110Google Scholar
  19. Leissner L, Schlüte J, Horn I, Mihailova B (2015b) Exploring the potential of Raman spectroscopy for crystallochemical analyses of complex hydrous silicates: I. Amphiboles. Am Mineral 100:2682–2694CrossRefGoogle Scholar
  20. Lippincott ER, Stutman JM (1964) Polarizabilities from δ-function potentials. J Phys Chem 68:2926–2940CrossRefGoogle Scholar
  21. Makreski P, Jovanovski G, Gajović A (2006) Minerals from Macedonia: XVII. Vibrational spectra of some common appearing amphiboles. Vib Spectrosc 40:98–109CrossRefGoogle Scholar
  22. Nakamoto K (2009) Infrared and Raman Spectra of inorganic and coordination compounds. Part A: theory and applications in inorganic chemistry. Wiley, New York, pp 192–204Google Scholar
  23. Petry R, Mastalerz R, Zahn S, Mayerhöfer TG, Völksch G, Viereck-Götte L, Kreher-Hartmann B, Holz L, Lankers M, Popp J (2006) Asbestos mineral analysis by UV Raman and energy-dispersive X-ray spectroscopy. ChemPhysChem 7:414–420CrossRefGoogle Scholar
  24. Robert J-L, Della Ventura G, Hawthorne FC (1999) Near-infrared study of short-range disorder of OH and F in monoclinic amphiboles. Am Mineral 84:86–91CrossRefGoogle Scholar
  25. Sanders MJ, Leslie M, Catlow CRA (1984) Interatomic potentials for SiO2. J Chem Soc Chem Commun.  https://doi.org/10.1039/C39840001271 Google Scholar
  26. Sbroscia M, Della Ventura G, Iezzi G, Sodo A (2018) Quantifying the A-site occupancy in amphiboles: a Raman study in the OH-stretching region. Eur J Mineral.  https://doi.org/10.1127/ejm/2018/0030-2727 Google Scholar
  27. Su W, Zhang M, Redfern SAT, Gao J, Klemd R (2009) OH in zoned amphiboles of eclogite from the western Tianshan, NW-China. Int J Earth Sci 98:1299–1309CrossRefGoogle Scholar
  28. Susta U, Della Ventura G, Hawthorne FC, Abdu YA, Day MC, Mihailova B, Oberti R (2018) The crystal-chemistry of riebeckite, ideally Na2Fe3 2+Fe2 3+Si8O22(OH)2: a multidisciplinary study. Mineral Mag.  https://doi.org/10.1180/minmag.2017.081.064 Google Scholar
  29. Wang A, Dhamelincourt P, Turrell G (1988a) Raman microspectroscopic study of the cation distribution in amphibole. Appl Spectrosc 42:1441–1450CrossRefGoogle Scholar
  30. Wang A, Dhamelincourt P, Turrell G (1988b) Infrared and low-temperature micro-Raman spectra of the OH stretching vibrations in cummingtonite. Appl Spectrosc 42:1451–1457CrossRefGoogle Scholar
  31. Zotov N, Ebbsjö I, Timpel D, Keppler H (1999) Calculation of Raman spectra and vibrational properties of silicate glasses: comparison between Na2Si4O9 and SiO2 glasses. Phys Rev B 60:6383–6397CrossRefGoogle Scholar

Copyright information

© Springer-Verlag GmbH Germany, part of Springer Nature 2018

Authors and Affiliations

  • Victor G. Ivanov
    • 1
  • Momchil Dyulgerov
    • 2
  • Roberta Oberti
    • 3
  1. 1.Sofia University, Faculty of PhysicsSofiaBulgaria
  2. 2.Sofia University, Faculty of Geology and GeographySofiaBulgaria
  3. 3.CNR-Istituto di Geoscienze e Georisorse, UOS PaviaPaviaItaly

Personalised recommendations