Premium
Application of the ellipsoid modeling of the average shape of nanosized crystallites in powder diffraction
Author(s) -
Katerinopoulou Anna,
BalicZunic Tonci,
Lundegaard Lars F.
Publication year - 2012
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889811055075
Subject(s) - crystallite , ellipsoid , anisotropy , diffraction , powder diffraction , rietveld refinement , materials science , formalism (music) , crystallography , x ray crystallography , optics , physics , chemistry , art , musical , astronomy , visual arts
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.