Journal
JOURNAL OF APPLIED CRYSTALLOGRAPHY
Volume 45, Issue -, Pages 22-27Publisher
INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S0021889811055075
Keywords
anisotropic line broadening; ellipsoidal formula; crystallite size; crystallite shape; X-ray powder diffraction
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Funding
- Danish Agency for Science, Technology and Innovation
- Carlsberg Foundation
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Anisotropic broadening correction in X-ray powder diffraction by an ellipsoidal formula is applied on samples with nanosized crystals. Two cases of minerals with largely anisotropic crystallite shapes are presented. The properly applied formalism not only improves the fitting of the theoretical and observed diffraction diagrams but also gives direct information about realistic crystallite shapes and sizes. The approach is demonstrated using the Rietveld refinement program TOPAS and it is easily adaptable to other similar software.
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