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DIFFaX SIMULATIONS OF POLYTYPISM AND DISORDER IN HYDROTALCITE

¹ Department of Chemistry, Central College, Bangalore University, Bangalore 560 001, India
² Department of Chemistry, St. Joseph’s College, Lal Bagh Road, Bangalore 560 027, India

^* E-mail address of corresponding author: vishnukamath8{at}hotmail.com

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-2 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.

Key Words: DIFFaX • Hydrotalcite • Polytypism

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