Comparative evaluation of line profile analysis and preferred orientation correction in determining crystallite shape of anatase with X-ray power diffraction profile

X-ray powder diffraction (XRPD) profiles provide valuable information on the geometrical shape of crystallites. This work delves into the complexity of determining the geometrical shape of crystallites, including plate-like and spherical TiO₂ specimens, and discusses crucial parameters of edge length, shape coefficient, and orientation vector. The analysis demonstrates the necessity of using both line-broadening analysis and preferred orientation to elucidate the underlying physics of XRPD analysis. The choice of empirical formula is illustrated in analyzing plate-like crystallites with the characteristic of flat morphology. For spherical crystallites, the March-Dollase formula is recommended.