X-ray Powder Diffraction

X-ray powder diffraction (XRPD) as a powerful nondestructive analytical technique finds applications in various field as mineralogy, metallurgy, materials science, forensic science, archeometry, biology, pharmaceutical industry, and, of course, supramolecular chemistry. The most recent applications of XRPD in the field of supramolecular chemistry are reported with the aim to outline the advantages of the technique and its complementarity with other analytical tools, as spectroscopic techniques, and also computational methods. The main aspects of the structure analysis from XRPD data, including pair distribution function analysis, are briefly described. Main applications as qualitative and quantitative phase analysis by means of XRPD are also detailed. Selected examples in the structure determination of metal-organic frameworks, fullerenes, inclusion compounds, but also in the study of phase transitions, adsorption processes, polymorphism, and solvatomorphism are provided. Keywords: Direct space methods; Dual space methods; High-resolution X-ray powder diffraction; In situ X-ray powder diffraction; Metal-organic frameworks; Pair distribution function; Phase identification; Phase transformations; Qualitative phase analysis; Quantitative phase analysis; Reciprocal space methods; Rietveld refinement; Supramolecular zeolite; Synchrotron radiation; X-ray powder diffraction