Hostname: page-component-586b7cd67f-t8hqh Total loading time: 0 Render date: 2024-11-28T07:39:03.612Z Has data issue: false hasContentIssue false
  • English
  • Français

Simulation of XRD patterns as an optimal technique for studying glacial and interglacial clay mineral associations in bottom sediments of Lake Baikal

Published online by Cambridge University Press:  09 July 2018

E. P. Solotchina ,
A. A. Prokopenko ,
A. N. Vasilevsky ,
V. M. Gavshin ,
M. I. Kuzmin  and
D. F. Williams
E. P. Solotchina*
Affiliation:
United Institute of Geology, Geophysics and Mineralogy, Siberian Branch of Russian Academy of Sciences, 630090 Acad. Koptyug ave. 3, Novosibirsk, Russia
A. A. Prokopenko
Affiliation:
United Institute of Geology, Geophysics and Mineralogy, Siberian Branch of Russian Academy of Sciences, 630090 Acad. Koptyug ave. 3, Novosibirsk, Russia
A. N. Vasilevsky
Affiliation:
United Institute of Geology, Geophysics and Mineralogy, Siberian Branch of Russian Academy of Sciences, 630090 Acad. Koptyug ave. 3, Novosibirsk, Russia
V. M. Gavshin
Affiliation:
United Institute of Geology, Geophysics and Mineralogy, Siberian Branch of Russian Academy of Sciences, 630090 Acad. Koptyug ave. 3, Novosibirsk, Russia
M. I. Kuzmin
Affiliation:
Institute of Geochemistry, Siberian Branch of Russian Academy of Sciences, Irkutsk, 664033, Russia
D. F. Williams
Affiliation:
Department of Geological Sciences, University of South Carolina, Columbia, SC 29208, USA
*
*E-mail: [email protected]
Get access Rights & Permissions [Opens in a new window]

Abstract

A new method is proposed for modelling complex X-ray diffraction patterns effectively. The method is based on the calculation of the interference function of the onedimensional disordered crystals with finite thickness. First, we calculated the diffraction effects from structures of individual mineral phases with different layer defects modelled according to the Reynolds’ algorithm. To fit the theoretical to the observed XRD patterns more accurately, we then used a specially developed optimization procedure. This iterative procedure selects the optimal set of chemical and structural parameters (probability and domain size) and yields consistent solutions.

The composition of the clay component in bottom sediments of Lake Baikal relates strongly to glacial/interglacial climate cyclicity. Besides changes in the relative abundance of illite and illite/ smectites between glacial and interglacial periods, significant differences are observed in the crystal chemistries and structures of layered minerals. A change from chlorite during glacial periods to chlorite-smectite during interglacials is probably indicative of the weathering processes in the watershed. Changes in the degree of ordering, in domain size and grain-size distribution of illitesmectites imply differences in genesis of this mineral phase in different palaeoenvironments. These findings further strengthen the case for using clay minerals in the sedimentary record of Lake Baikal as palaeoclimate indicators.

One of our findings was that none of the fractions separated by Stokes’ settling is representative of the bulk sample for either the glacial or interglacial intervals. For the interglacial sample, illitesmectite was concentrated in the <2 μm fraction whereas, for the glacial sample, most of illitesmectite is contained in the <1 μm fraction. The selective use of one fraction is yet another potential source of uncontrolled errors that has to be avoided. We suggest using X-ray patterns of bulk samples as a preferred method of analysis of Lake Baikal (and other) sediments.

Keywords

X-ray diffractionmodellingillite-smectitesLake Baikalclimate change
Type
Research Article
Information
Clay Minerals , Volume 37 , Issue 1 , March 2002 , pp. 105 - 119
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 2002

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

BDP-93 Members of the Baikal Drilling Project (1995) Results of the first drilled borehole at Lake Baikal near the Buguldeika Isthmus. Russian Geology and Geophysics, 36(2), 3–32 (in Russian).Google Scholar
BDP-96 Members of the Baikal Drilling Project (1998) A continuous record of climate changes of the last 5 million years stored in the bottom sediments of Lake Baikal. Russian Geology and Geophysics, 39(2), 139–156 (in Russian).Google Scholar
BDP-98 Members of the Baikal Drilling Project (2000) Paleoclimatic record in the late Cenozoic sediments of Lake Baikal (600 m deep-drilling data). Russian Geology and Geophysics, 41(1), 3–32 (in Russian).Google Scholar
Bezrukova, E.V., Bogdanov, Yu.A., Williams, D.F. and others (1991) Deep changes in the ecosystem of Northern Baikal in the Holocene. Doklady AN SSSR, 321(5), 1032–1037 (in Russian).Google Scholar
Colman, S.M., Peck, J.A., Karabanov, E.B., Carter, S.J., Bradburi, J.P., King, J.W. & Williams, D.F. (1995), Continental climate response to orbital forcing from biogenic silica records in Lake Baikal. Nature, 378, 769–771 Google Scholar
Drits, V.A. and Sakharov, B.A. (1976) X-ray Analysis of Mixed-layer Minerals. Nauka, Moskow, 256 pp (in Russian).Google Scholar
Drits, V.A. and Tchoubar, C. (1990) X-ray Diffraction by Disordered Lamellar Structure s: Theory and Appli cation to Microdi vided Sil icates and Carbonates. Springer-Verlag, Berlin, 371 pp.Google Scholar
Drits, V.A., Sakharov, B.A., Lindgreen, H. & Salyn, A. (1997) Sequential structure transformation of illitesmectite- vermiculite during diagenesis of Upper Jurassic shales from the North Sea and Denmark. Clay Minerals, 32, 351–371.CrossRefGoogle Scholar
Ehrmann, W.U., Melles, M., Kuhn, G. & Grobe, H. (1992) Significance of clay mineral assemblages in the Antarctic Ocean. Marine Geology, 107, 249–274.CrossRefGoogle Scholar
Gharrabi, M., Sagon, J-P. & Velde, B. (1996) XRD identification of two coexisting mixed layer expandable minerals in sedimentary rocks. Clays and Clay Minerals, 44, 429–436.Google Scholar
Gill, P.E., Murray, W. & Wright, M.H. (1981) Practical Optimization. Academic Press; Russian translation Mir, Moscow (1985), 509 pp.Google Scholar
Goldyrev, G.S. (1982) Sediment Formation and Quatern ary History of Lake Baikal. Nauka, Novosibirsk, 181 pp (in Russian).Google Scholar
Hall, M.M., Veeraraghavan, V.G., Rubin, H. & Winchell, P.G. (1977) The approximation of symmetric X-ray peaks by Pearson type VII distribution. Journal of Applied Crystallography, 10, 66–68.CrossRefGoogle Scholar
Hendricks, S.B. & Teller, E. (1942) X-ray interference in partially ordered layer lattices. Journal of Chemical Physics, 10, 147–167.CrossRefGoogle Scholar
Kakinoki, J. & Komura, Y. (1952) Intensity of X-ray diffraction by one dimensionally disordered crystal. I. General derivation in the case of the ‘Reichweite’ S = 0 and 1. Journal of the Physics Society of Japan, 7, 30–35.Google Scholar
Kakinoki, J. & Komura, Y. (1954) Intensity of X-ray diffraction by one dimensionally disordered crystal. II. General derivation in the case of the correlation range S > 2. Journal of the Physics Society of Japan, 9, 169–176.CrossRefGoogle Scholar
Karabanov, E.B., Prokopenko, A.A., Williams, D.F. & Colman, S.M. (1998) Evidence from Lake Baikal for Siberian Glaciation during Oxygen-Isotope Substage 5d. Quaternary Research, 50, 46–55.Google Scholar
Karabanov, E.B., Prokopenko, A.A., Williams, D.F. & Khursevich, G.K. (2000a) A new record of Holocene climate change from the bottom sediments of Lake Baikal. Palaeoge ography, Palaeoclimatology , Palaeoecology, 156, 211–224.CrossRefGoogle Scholar
Karabanov, E.B., Prokopenko, A.A., Williams, D.F. & Khursevich, G.K. (2000b) Evidence for mid-Eemian cooling in continental climatic record from Lake Baikal. Journal of Paleolimnology, 23, 365–371.Google Scholar
Kashik, S.A. & Mazilov, V.N. (1997) Lithology of Quaternary deposits in deep borehole section from Lake Baikal. Lithology and Mineral Deposits, 5, 484–491 (in Russian).Google Scholar
Kuzmin, M.I., Williams, D.F., Logachev, N.A., Colman, S.M., Khakhaev, B.N., Kawai, T., Hearn, P., Horie, S., Pevzner, L.A., Bukharov, A.A. & Fialkov, (1993) The Baikal drilling program: scientific and technological objectives and recent results. Russian Geology and Geophysics, 34(10-11), 5–15 (in Russian).Google Scholar
Kuzmin, M.I. , Solotchina, E.P., Vasilevskii, A.N., Stolpovskaya, V.N., Karabanov, E.B., Geletii, V.F., Bychinskii, V.A., Anoshin, G.N. & Shulzhenko, S.G. (2000) Clay minerals in bottom sediments of Lake Baikal as indicators of climate changes. Russian Geology and Geophysics, 41 (10), 1347–1359 (in Russian).Google Scholar
Lanson, B. & Besson, G. (1992) Characterization of the e nd of sme ct i te-to-illitetransformation: Decomposition of X-ray patterns. Clays and Clay Minerals, 40, 40–52.Google Scholar
Lanson, B. & Velde, B. (1992) Decomposition of X-ray diffraction patterns: A convenient way to describe complex I-S diagenetic evolution. Clays and Clay Minerals, 40, 629–643.Google Scholar
MacEwan, D.G. (1958) Fourier transform methods for studying X-ray scattering from lamellar systems. II. The calculation of X-ray diffraction effects for various types of interstratified ion. Kolloidzschrift, 156, 61–67.Google Scholar
Melles, M., Grobe, H. & Hubberten, H.W. (1995) Mineral composition of the clay fraction in the 100 m core BDP-93-2 from Lake Baikal – preliminary results. IPPCE Newsletter, Universitaetsverlag Wagner, Innsbruck, 9, 17–22.Google Scholar
Pevear, D.R. & Schuette, J.F. (1993) Inverting the NEWMOD X-ray diffraction forward model for clay minerals using genetic algorithms. Pp. 20–41 in: Computer Applications to X-ray Diffraction Analysis of Clay Minerals (Reynolds, R.C. & Walker, J.R., editors). CMS Workshop Lectures, The Clay Minerals Society, Boulder, CO, USA.Google Scholar
Prokopenko, A.A., Karabanov, E.B., Williams, D.F., Kuzmin, M.I., Shackleton, N.J. , Crowhurst, S.J., Peck, J.A., Gvozdkov, A.N. & King, J.W. (2000) Biogenic silica record of the Lake Baikal response to climat ic forcing during the Brunhes chron. Quaternary Research, 55, 123–132.CrossRefGoogle Scholar
Rateev, M.A. (1954) Clay minerals in bottom sediments of present- day water body. Pp. 339–371 in: Sediment Formation in Present-day Water Bodies (Beliankin, D.S. and Bezrukov, P.L., editors). AN SSSR, Moscow, 791 pp (in Russian).Google Scholar
Reynolds, R.C. (1967) Interstratified clay systems: calculation of the total one-dimensional diffraction function. American Mineralogist, 52, 661–672.Google Scholar
Reynolds, R.C. (1980) Interstratified clay minerals. Pp. 249–303 in: Crystal Structures of Clay Minerals and their X-ray Identification (Brindley, G.W. & Brown, G., editors). Monograph 5. Mineralogical Society, London.CrossRefGoogle Scholar
Reynolds, R.C. (1985) NEWMOD: A computer program for the calculation of one-dimensional diffraction powders of mixed-layer clays. 8 Brook Rd., Hanover, NH 03755, USA.Google Scholar
Reynolds, R.C. (1986) The Lorentz-polarization factor and preferred orientation in oriented clay aggregates. Clays and Clay Minerals, 34, 359–367.Google Scholar
Reynolds, R.C. (1989) Principles and Techniques of Quantitative Analysis of Clay Minerals by X-ray Powder Diffraction. The Clay Minerals Society, Boulder, CO, USA, pp. 3–36.Google Scholar
Sakharov, B., Lindgreen, H., Salyn, A. & Drits, V.A. (1999) Determination of illite-smectite structures using multi-specimen X-ray diffraction profile fitting. Clays and Clay Minerals, 47, 555–566.Google Scholar
Solotchina, E.P., Gorelik, T.E., Gavshin, V.M. & Anoshin, G.N. (1998) Interpretation of X-ray diffraction profiles of clay minerals from bottom sediments of Lake Baikal. Materials Structure in Chemistry, Biology, Physics and Technology, 5 (sp. issue B), 226–227.Google Scholar
Solotchina, E.P., Gorelik, T.E., Prokopenko, A.A., Gavshin, V.M., Vasilevsky, A.N. & Shulzhenko, S.G. (1999a) Clay minerals as indicators of chemical processes in Lake Baikal catchment basin associated with global changes of environment and climate. Chemistry for Sustainable Development, 7, 585–591 (in Russian).Google Scholar
Solotchina, E.P., Kameneva, M.Y.., Vasilevsky, A.N. & Solotchin, P.A. (1999b) X-ray identification of mixed-layer illite/smectite from sedimentary terrigenous rocks, West Siberian Plate. Surface, X-ray, Synchrotron and Neutron Researches, 11, 26–30 (in Russian).Google Scholar
Solotchina, E.P., Kameneva, M.Y., Vasilevsky, A.N. and Solotchin, P.A. (2000) Interpretation of the complex X-ray powder diffraction patterns of mixed-layer illite/smectite from the terrigenous deposits, West- Siberian plate. Materials Science Forum, 321-324, 1028–1032.Google Scholar
Solotchina, E.P., Prokopenko, A.A., Kuzmin, M.I. , Vasilevskii, A.A. & Shulzhenko, S.G. (2001) Differences in glacial and interglacial clay mineral associations of Baikal sediments from BDP-93-2 and BDP-96 cores. Russian Geology and Geophysics, 42(1-2), 146–156 (in Russian).Google Scholar
Walker, J.R. (1993) An introduction to computer modeling of X-ray powder diffraction patterns of clay minerals: a guided tour to NEWMOD. Pp. 2–17 in: Computer Applications to X-ray Diffraction Analysis of Clay Minerals (Reynolds, R.C. & Walker, J.R., editors). CMS Workshop Lectures. The Clay Minerals Society, Boulder, CO, USA.Google Scholar
Weir, A.H. & Rayner, J.H. (1974) An interstratified illitesmectite from Denchworth Series Soil in weathered Oxford Clay. Clay Minerals, 10, 173–187.Google Scholar
Williams, D.F., Peck, J., Karabanov, E.B., Prokopenko, A.A., Kravchinsky, V., King, J. & Kuzmin, M.I. (1997) Lake Baikal record of continental climate response to orbital insolation during the past 5 million years. Science, 278, 1114–1117.Google Scholar
Yuretich, R., Melles, M., Sarata, B. & Grobe, H. (1999) Clay minerals in the sediments of Lake Baikal: a useful climate proxy. Journal of Sedimentary Research, 69, 588–596.CrossRefGoogle Scholar