Powder diffraction analysis is generally considered information poor compared to single-crystal analysis, say Dinnebier, Leineweber, and Evans, but in fact the information content of a
powder pattern is huge, but sophisticated analysis methods are often needed to harvest the maximum amount of information from the data.
An automatic search in the PDF-ICDD database [18], using the software available with the diffractometer, indicated that the
powder pattern contained small amounts of MnSe (PDF N 11-683), Bragg positions of the diffraction lines from this compound are also indicated in Figure 1.
The
powder pattern of 2 has a different phase than those observed for bpy and 1 (Figure 4) confirming a new phase, different to those.
The formation of perovskite phase was confirmed by recording the XRD
powder pattern of the base oxide on an X-ray diffractometer (BRUERK AXS D8Advance) using Cu-Ka radiation (=1.5406A ).
Hardystonit
powder pattern of tetragonal structure with a=7.8287 and c=5.0140 angstrom fixed network specifies [7].
The average grain sizes were determined from the XRD
powder pattern according to the Scherrer's equation [14].
We have developed in-house program for computation of crystallite size and lattice strain by simulating the whole
powder pattern fitting and the details of the procedure are given in our earlier paper [10].
We can also calculate a theoretical x-ray diffraction
powder pattern for each predicted polymorph.
A fully indexed
powder pattern is presented in Table 1.
The Os[O.sub.2] crystal would have a superlattice of higher symmetry and be characterized by a
powder pattern with far fewer unique d-spacings than related rutile-type materials.
Methods for the preparation of nanoparticles of a required configuration and dimensions survey the vast possibilities offered by thermal oxidation processes, thin film deposition, transmission electron microscopy, scanning probe microscopy, X-ray diffraction analysis, dynamic light scattering, Raman spectra, and whole
powder pattern modeling.
In this respect the methods differ from the recently developed whole
powder pattern fitting (WPPF) procedures [9,10], in which more reflections in the
powder pattern are used for the analysis.
