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Determination of Mean Crystallite Dimensions from X-Ray Diffraction Peak Profiles: A Comparative Analysis of Synthetic Hematites

Published online by Cambridge University Press:  28 February 2024

Mario Crosa ,
Valter Boero  and
Marinella Franchini-Angela
Mario Crosa
Affiliation:
Dipartimento di Valorizzazione e Protezione delle Risorse Agroforestali-Chimica Agraria, Università di Torino, via Leonardo da Vinci 44, I-10095 Grugliasco (Torino), Italy
Valter Boero*
Affiliation:
Dipartimento di Valorizzazione e Protezione delle Risorse Agroforestali-Chimica Agraria, Università di Torino, via Leonardo da Vinci 44, I-10095 Grugliasco (Torino), Italy
Marinella Franchini-Angela
Affiliation:
Dipartimento di Scienze Mineralogiche e Petrologiche, Università di Torino, via Valperga Caluso 35, 1-10125 Torino, Italy
*
E-mail of corresponding author: boero@agraria.unito.it
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Abstract

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X-ray diffraction (XRD) profile analysis of eight synthetic hematite samples was performed to identify the best parameters for determining the apparent mean crystallite dimension (D) and, consequently, surface area, The samples are comparable to soil hematite with respect to crystallinity. The procedure included: a) deconvolution of the XRD peaks to Gauss and Cauchy components and subtraction of the instrumental profile, b) determination of D from full-width at half-maximum, integral breadth, and integral breadth measurements of the Cauchy component, and c) comparison of deduced surface areas with those obtained by the N2-BET adsorption method. As expected, D values are strongly influenced by the broadening parameters. An appropriate selection of peaks is required to obtain size values along the crystallographic axes a (hkl: 110,300) and c (hkl: 104, 116) and to calculate reliable surface areas. Using the Cauchy component of the above peaks, the calculated surface areas compared well with those measured by the N2-BET adsorption method.

Keywords

BETHematiteIron OxidesMean Crystallite DimensionPowder X-ray DiffractionSurface AreaXRD
Type
Research Article
Information
Clays and Clay Minerals , Volume 47 , Issue 6 , December 1999 , pp. 742 - 747
Copyright
Copyright © 1999, The Clay Minerals Society

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