Hostname: page-component-cd9895bd7-p9bg8 Total loading time: 0 Render date: 2024-12-26T17:22:11.841Z Has data issue: false hasContentIssue false
  • English
  • Français

DIFFaX Simulations of Polytypism and Disorder in Hydrotalcite

Published online by Cambridge University Press:  01 January 2024

Grace S. Thomas ,
Michael Rajamathi  and
P. Vishnu Kamath
Grace S. Thomas
Affiliation:
Department of Chemistry, Central College, Bangalore University, Bangalore 560 001, India
Michael Rajamathi
Affiliation:
Department of Chemistry, St. Joseph’s College, Lal Bagh Road, Bangalore 560 027, India
P. Vishnu Kamath*
Affiliation:
Department of Chemistry, Central College, Bangalore University, Bangalore 560 001, India
*
*E-mail address of corresponding author: [email protected]
Rights & Permissions [Opens in a new window]

Abstract

Core share and HTML view are not available for this content. However, as you have access to this content, a full PDF is available via the ‘Save PDF’ action button.

DIFFaX simulations show that the 3R1 and 3R2 polytypes of hydrotalcites (HT) have distinctly different X-ray powder diffraction (XRPD) patterns. The HT samples obtained by coprecipitation as well as those subjected to a subsequent hydrothermal treatment exhibit non-uniform broadening of lines in their XRPD patterns as well as anomalous variation in the intensities of the basal reflections. The reflections appearing in the mid-2θ region (30–50°; 3–1.8 Å) are excessively broadened and do not correspond to either of the 3R polytypes. This broadening is shown to be due to a stacking of layers randomly rotated about the c crystallographic axis by n × 120° (n = 1,2). The intensities of the basal reflections vary due to the departure of the layer composition from the nominal value, essentially due to an increase in the intercalated water content.

Keywords

DIFFaXHydrotalcitePolytypism
Type
Research Article
Information
Clays and Clay Minerals , Volume 52 , Issue 6 , December 2004 , pp. 693 - 699
Copyright
Copyright © 2004, The Clay Minerals Society

References

Artioli, G. Bellotto, M. Gualtieri, A. and Pavese, A., (1995) Nature of structural disorder in natural kaolinites: A new model based on computer simulation of powder diffraction data and electrostatic energy calculation Clays and Clay Minerals 43 438–445 10.1346/CCMN.1995.0430407.CrossRefGoogle Scholar
Bellotto, M. Rebours, B. Clause, O. Lynch, J. Bazin, D. and Elkaim, E., (1996) A reexamination of hydrotalcite crystal chemistry Journal of Physical Chemistry 100 8527–8534 10.1021/jp960039j.CrossRefGoogle Scholar
Bookin, A.S. and Drits, V.A., (1993) Polytype diversity of the hydrotalcite-like minerals I. Possible polytypes and their diffraction features Clays and Clay Minerals 41 551–557 10.1346/CCMN.1993.0410504.CrossRefGoogle Scholar
Bookin, A.S. Cherkashin, V.I. and Drits, V.A., (1993) Polytype diversity of the hydrotalcite-like minerals II. Determination of the polytypes of experimentally studied varieties Clays and Clay Minerals 41 558–564 10.1346/CCMN.1993.0410505.CrossRefGoogle Scholar
Branderburg, K. and Berndt, M., (1996) DIAMOND — Visual Crystal Structure Information System, Version 2.1b Postfach 1251, D-53002 Bonn, Germany Crystal Impact For more information.Google Scholar
Carlino, S., (1997) The intercalation of carboxylic acids into layered double hydroxides: a critical evaluation and review of the different methods Solid State Ionics 98 73–84 10.1016/S0167-2738(96)00619-4.CrossRefGoogle Scholar
Carrado, K.A. Kostapapas, A. and Suib, S.L., (1988) Layered double hydroxides Solid State Ionics 26 77–86 10.1016/0167-2738(88)90018-5.CrossRefGoogle Scholar
Cavani, F. Trifiro, F. and Vaccari, A., (1991) Hydrotalcite-type anionic clays: preparation, properties and applications Catalysis Today 11 173–301 10.1016/0920-5861(91)80068-K.CrossRefGoogle Scholar
Constantino, V.R.L. and Pinnavaia, T.J., (1995) Basic properties of Mg2+1−xAl3+x layered double hydroxides intercalated by carbonate, hydroxide, chloride and sulphate anions Inorganic Chemistry 34 883–892 10.1021/ic00108a020.CrossRefGoogle Scholar
Dittrich, H. and Wohlfahrt-Mehrens, M., (2001) Stacking fault analysis in layered materials International Journal of Inorganic Materials 3 1137–1142 10.1016/S1466-6049(01)00143-X.CrossRefGoogle Scholar
Dobos, D., (1975) Solubility products of slightly soluble electrolytes Electrochemical Data. A Handbook for Electrochemists in Industry and Universities Amsterdam Elsevier Scientific Publishing Company 221–224.Google Scholar
Fog, A.M. Freiji, A.J. and Parkinson, G.M., (2002) Synthesis and anion exchange chemistry of rhombohedral Li/Al layered double hydroxides Chemistry of Materials 14 232–234 10.1021/cm0105099.CrossRefGoogle Scholar
Khan, A.I. and O’Hare, D., (2002) Intercalation chemistry of layered double hydroxides: recent developments and applications Journal of Materials Chemistry 12 3191–3198 10.1039/B204076J.CrossRefGoogle Scholar
Labojos, F.M. and Rives, V., (1996) Thermal evolution of chromium (III) ions in hydrotalcite-like compounds Inorganic Chemistry 35 5313–5318 10.1021/ic951648t.CrossRefGoogle Scholar
Martin, M.J.S. Villa, M.V. and Camazano, M.S., (1999) Glyphosate-hydrotalcite intercalation as influenced by pH Clays and Clay Minerals 47 777–783 10.1346/CCMN.1999.0470613.CrossRefGoogle Scholar
Newman, S.P. Jones, W. O’Connor, P. and Stamires, N., (2001) Synthesis of the 3R2 polytype of a hydrotacite-like mineral Journal of Materials Chemistry 12 153–155 10.1039/b110715c.CrossRefGoogle Scholar
Oswald, H.R. and Asper, R., (1977) Bivalent metal hydroxides Preparation and Crystal Growth of Materials with Layered Structures 1 71–140 10.1007/978-94-017-2750-1_3.CrossRefGoogle Scholar
Ramesh, T.N. Jayashree, R.S. and Kamath, P.V., (2003) Disorder in layered hydroxides: DIFFaX simulation of the X-ray powder diffraction patterns of nickel hydroxide Clays and Clay Minerals 51 570–577 10.1346/CCMN.2003.0510511.CrossRefGoogle Scholar
Reichle, W.T., (1986) Synthesis of anionic clay minerals (mixed metal hydroxides, hydrotalcites) Solid State Ionics 22 135–141 10.1016/0167-2738(86)90067-6.CrossRefGoogle Scholar
Rousselot, I. Taviot-Guého, C. Leroux, F. Léone, P. Palvadeau, P. and Besse, J.-P., (2002) Insights on the structural chemistry of hydrocalumite and hydrotalcite-like materials: Investigation of the series Ca2M3+(OH)6Cl·2H2O (M3+:Al3+, Ga3+, Fe3+, and Sc3+) by X-ray powder diffraction Journal of Solid State Chemistry 167 137–144 10.1006/jssc.2002.9635.CrossRefGoogle Scholar
Seida, Y. Nakano, Y. and Nakamura, Y., (2002) Crystallization of layered double hydroxides by ultrasound and the effect of crystal quality on their surface properties Clays and Clay Minerals 50 525–532 10.1346/000986002320514244.CrossRefGoogle Scholar
Taylor, H.F.W., (1973) Crystal structure of some double hydroxide minerals Mineralogical Magazine 39 377–389 10.1180/minmag.1973.039.304.01.CrossRefGoogle Scholar
Tichit, D. Rolland, A. Prinetto, F. Fetter, G. de Jesus, M. Martinez-Ortiz, Valenzuela, M.A. and Bosch, P., (2002) Comparison of the structural and acid-base properties of Ga- and Al-containing layered double hydroxides obtained by microwave irradiation and conventional ageing of synthesis gels Journal of Materials Chemistry 12 3832–3838 10.1039/B203376N.CrossRefGoogle Scholar
Treacy, M.M.J., Deem, M.W. and Newsam, J.M. (2000) Computer code DIFFaX, Version 1.807.Google Scholar
Viani, A. Gualtieri, A.F. and Artioli, G., (2002) The nature of disorder in montmorillonite by simulation of X-ray powder patterns American Mineralogist 87 996–975 10.2138/am-2002-0720.CrossRefGoogle Scholar
Zhao, Y. Li, F. Zhang, R. Evans, D.G. and Duan, X., (2002) Preparation of layered double-hydroxide nanomaterials with a uniform crystallite size using a new method involving separate nucleation and aging steps Chemistry of Materials 14 4286–4291 10.1021/cm020370h.CrossRefGoogle Scholar