International Tables for Crystallography
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Indexing a powder diffraction pattern International Tables for Crystallography (2019). Vol. H, ch. 3.4, pp. 270-281 [ doi:10.1107/97809553602060000949 ] Abstract This chapter provides a general overview of the process of identifying cell parameters from a powder diffraction pattern. The main theoretical, computational and applicative approaches are described. In particular, the chapter deals with the basic concepts of a crystalline lattice, indexing equations, figures of merit, and traditional and non-traditional methods for solving the indexation problem. The most widely used indexing programs are discussed and examples of their applications are given. |
Supporting information
Powder diffraction data for norbornene in .pow format. DOI: 10.1107/97809553602060000949/Hach3o4sup1.txt
Powder diffraction data for a Cu(II)-Schiff base complex in .pow format. DOI: 10.1107/97809553602060000949/Hach3o4sup2.txt
Powder diffraction data for decafluoroquarterphenyl in .pow format. DOI: 10.1107/97809553602060000949/Hach3o4sup3.txt
Powder diffraction data for hexagonal turkey egg-white lysozyme in .pow format. DOI: 10.1107/97809553602060000949/Hach3o4sup4.txt
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About International Tables for Crystallography
International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.