Skip to main content
Log in

Computer Simulation of Cation Distribution in Dioctahedral 2:1 Layer Silicates Using IR-Data: Application to Mössbauer Spectroscopy of a Glauconite Sample

  • Published:
Clays and Clay Minerals

Abstract

A new approach is described to computer simulate cation distribution in octahedral sheets of dioctahedral 2:1 layer silicates with vacant trans-octahedra. This approach makes use of the information on cation distribution at the one-dimensional level provided by integrated IR optical densities for the region of OH-stretching frequencies. By using this program it is possible to show that (1) the Mössbauer spectrum of glauconite B. Patom conforms to the structural model composed of celandonite-like and illite-like domains whose dimensions are limited by approximately 2 or 4 unit cells; (2) non-equivalency of “left” and “right” cis-positions (with fixed b-direction) with respect to R2+ and R3+ occupancy is a characteristic feature of a celadonite-like domain.

This is a preview of subscription content, log in via an institution to check access.

Access this article

Price excludes VAT (USA)
Tax calculation will be finalised during checkout.

Instant access to the full article PDF.

Similar content being viewed by others

References

  • Besson, G., Bookin, A. S., Dainyak, L. G., Rautureau, M., Tsipursky, S. I., Tchoubar, C., and Drits, V. A. (1983) Use of diffraction and Mössbauer methods for the structural and crystallochemical characterization of nontronite: J. Appl. Cryst. 16, 374–383.

    Article  Google Scholar 

  • Besson, G., Drits, V. A., Dainyak, L. G., and Smoliar, B. B. (1987) Analysis of cation distribution in dioctahedral micaceous minerals on the basis of IR-spectroscopy data: Clay Miner. 22, 465–478.

    Article  Google Scholar 

  • Bookin, A. S., Dainyak, L. G., and Drits, V. A. (1978) Interpretation of the Mössbauer spectra of layer silicates on the basis of structural modelling (c): Phys. Chem. Minerals. 3, 58–59.

    Google Scholar 

  • Bowen, L. H., De Grave, E., Reid, D. A., Graham, R. C., and Edinger, S. B. (1989) Mössbauer study of a California desert celadonite and its pedagenically-related smectite: Phys. Chem. Minerals, 16, 697–703.

    Article  Google Scholar 

  • Cardile, C. M. and Brown, I. N. M. (1988) An 57Fe Mössbauer and X-ray diffraction study of New Zealand glauconites: Clay Miner. 23, 13–25.

    Article  Google Scholar 

  • Dainyak, L. G. (1985) Structural features of layer silicates and EFG calculations for an interpretation of their Mössbauer spectra: in Proc. 5th Meeting of the European Clay Groups, Prague, 1983, J. Konta, ed., Univerzita Karlova, Prague, 43–49.

    Google Scholar 

  • Dainyak, L. G. and Drits, V. A. (1987) Interpretation of Mössbauer spectra of nontronite celadonite and glauconite: Clays & Clay Minerals 35, 363–372.

    Article  Google Scholar 

  • Dainyak, L. G., Bookin, A. S., and Drits, V. A. (1984a) Interpretation of Mössbauer spectra of dioctahedral Fe3+-containing 2:1 layer silicates. II. Nontronite: Kristallografia 29, 304–311 (in Russian).

    Google Scholar 

  • Dainyak, L. G., Bookin, A. S., and Drits, V. A. (1984b) Interpretation of Mössbauer spectra of dioctahedral Fe3+-containing 2:1 layer silicates. III. Celadonite: Kristallografia 29, 312–321 (in Russian).

    Google Scholar 

  • Dainyak, L. G., Dainyak, B. A., Bookin, A. S., and Drits, V. A. (1984c) Interpretation of the Mössbauer spectra of dioctahedral Fe3+-containing layer silicates on the basis of structural modelling: Kristallografia 29, 94–100 (in Russian).

    Google Scholar 

  • De Grave, E., Vandenbruwaene, J., and Elewaute, E. (1985) An 57Fe Mössbauer effect study on glauconites from different locations in Belgium and northern France: Clay Miner. 20, 171–179.

    Article  Google Scholar 

  • Drits, V. A. and Smoliar-Zviagina, B. B. (1992) Structure prediction for micas of diverse compositions: (submitted to Zeitchrifi für Kristallographie).

    Google Scholar 

  • Drits, V. A., Kameneva, M. Y., Sakharov, B. A., Dainyak, L. G. (1992) Problems in the determination of the actual structure of glauconite and related microdivided minerals: in Nauka, Inst. Geol. Geophys. Soran, Novosobirsk, 360 pp. (in Russian).

    Google Scholar 

  • Herrero, C. P., Gregorkievitz, M., Sanz, J., and Serratoza, J. M. (1987) 29Si MAS-NMR spectroscopy of mica-type silicates: Observed and predicted distribution of tetrahedral Al-Si: Phys. Chem. Minerals 15, 84–90.

    Article  Google Scholar 

  • Johnston, J. H. and Cardile, C. M. (1987) Iron substitution in montmorillonite, illite, and glauconite by 57Fe Mössbauer spectroscopy: Clays & Clay Minerals 35, 170–176.

    Article  Google Scholar 

  • Kameneva, M. Y. (1986). Crystal-chemical peculiarities of the glauconite group minerals: Ph.D. thesis, Inst. Geol. Geophys. Soran, Novosobirsk (in Russian).

    Google Scholar 

  • Krzanowski, W. J. and Newman, A. C.D. (1972) Computer simulation of cation distribution in the octahedral layers of micas: Mineral. Mag. 38, 926–935.

    Article  Google Scholar 

  • Lippmaa, E., Magi, M., Samoson, A., Engelhardt, G., and Grimmer, A. R. (1980) Structural studies of silicates by solid-state high resolution 29Si NMR: J. Amer. Chem. Soc. 102, 4889–4893.

    Article  Google Scholar 

  • Nikolaeva, I. V. (1977) Minerals of the glauconite group in sedimentary formations: in Nauka, Moscow, 321 pp. (in Russian).

    Google Scholar 

  • Popov, V. I., Khramov, D. A., and Lobanov, F. I. (1988) Absorber shape: The influence on the Mössbauer spectrum parameters: in Proc. of USSR Conference on Applied Mössbauer Spectroscopy “Volga”, Moscow Physical Engineering Inst., Moscow, 32–33 (in Russian).

    Google Scholar 

  • Sakharov, B. A., Besson, G., Drits, V. A., Kameneva, M. Y., Salyn, A. L., and Smoliar, B. B. (1990) X-ray study of the nature of stacking faults in the structure of glauconites: Clay Miner. 25, 419–435.

    Article  Google Scholar 

  • Sanz, J. and Serratoza, J. M. (1984) 29Si and 27A1 high-resolution MAS-NMR spectra of phyllosilicates: J. Amer. Chem. Soc. 106, 4790–4793.

    Article  Google Scholar 

  • Slonimskaya, M. V., Besson, G., Dainyak, L. G., Tchoubar, C., and Drits, V. A. (1986) Interpretation of the IR spectra of celadonites and glauconites in the region of OH-stretch-ing frequencies: Clay Miner. 21, 377–388.

    Article  Google Scholar 

  • Smoliar-Zviagina, B. B. (1991) Relationships between structural parameters and chemical composition of 2:1 phyllosilicates: in Proc. Euroclay Conference, Dresden, 1991, M. Storr, K.-H. Henning, and P. Adolphi, eds., Ernst-Moritz-Universitat, Greifswald 3, 975–980.

    Google Scholar 

  • Townsend, M. G., Longworth, G., Ross, C. A. M., and Pro-vencher, R. (1987) Ferromagnetic or antiferromagnetic Fe III spin configurations in sheet silicates: Phys. Chem. Minerals 15, 64–70.

    Article  Google Scholar 

  • Tsipursky, S. I. and Drits, V. A. (1984) The distribution of octahedral cations in the 2:1 layers of dioctahedral smectites: Clay Miner. 19, 177–193.

    Article  Google Scholar 

  • Tsipursky, S. I., Drits, V. A., and Chekin, S. S. (1978) Study of structural ordering of nontronite by means of oblique electron diffraction: Izv. Akad. Nauk S.S.S.R., Ser. Geol. 10, 105–113 (in Russian).

    Google Scholar 

  • Tsipursky, S. I., Drits, V. A., and Plançon, A. (1985) Calculation of the intensities distribution in the oblique texture electron diffraction patterns: Kristallografia 30, 38–44 (in Russian).

    Google Scholar 

  • Zviagina, B. B. and Drits, V. A. (1991) Structure modelling of micas having disordered distribution of isomorphous cations: Miner. Zhurnal 13, 84–95 (in Russian).

    Google Scholar 

Download references

Author information

Authors and Affiliations

Authors

Rights and permissions

Reprints and permissions

About this article

Cite this article

Dainyak, L.G., Drits, V.A. & Heifits, L.M. Computer Simulation of Cation Distribution in Dioctahedral 2:1 Layer Silicates Using IR-Data: Application to Mössbauer Spectroscopy of a Glauconite Sample. Clays Clay Miner. 40, 470–479 (1992). https://doi.org/10.1346/CCMN.1992.0400412

Download citation

  • Received:

  • Accepted:

  • Published:

  • Issue Date:

  • DOI: https://doi.org/10.1346/CCMN.1992.0400412

Key Words

Navigation