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.
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.
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.
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.
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.
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.
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.
Dainyak, L. G. and Drits, V. A. (1987) Interpretation of Mössbauer spectra of nontronite celadonite and glauconite: Clays & Clay Minerals 35, 363–372.
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).
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).
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).
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.
Drits, V. A. and Smoliar-Zviagina, B. B. (1992) Structure prediction for micas of diverse compositions: (submitted to Zeitchrifi für Kristallographie).
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).
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.
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.
Kameneva, M. Y. (1986). Crystal-chemical peculiarities of the glauconite group minerals: Ph.D. thesis, Inst. Geol. Geophys. Soran, Novosobirsk (in Russian).
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.
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.
Nikolaeva, I. V. (1977) Minerals of the glauconite group in sedimentary formations: in Nauka, Moscow, 321 pp. (in Russian).
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).
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.
Sanz, J. and Serratoza, J. M. (1984) 29Si and 27A1 high-resolution MAS-NMR spectra of phyllosilicates: J. Amer. Chem. Soc. 106, 4790–4793.
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.
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.
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.
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.
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).
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).
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).
Author information
Authors and Affiliations
Rights 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
Received:
Accepted:
Published:
Issue Date:
DOI: https://doi.org/10.1346/CCMN.1992.0400412