Figure 1
Rietveld fits to (a) HRPD backscattering data and (b) HRPD 90° data from Zr2NiD4.5 obtained by simultaneous Rietveld refinement in GSAS showing observed (circles), calculated (solid line) and difference plots (below). Rwp = 0.0599 and 0.0369, respectively. Peaks due to deuterium ordering are marked with asterisks in (a). The intensity mismatch discussed in the text is shown inset in (a). The same peaks in the 90° data are boxed in (b) for comparison. The data are plotted as a function of Q(= 2π/d) for easy comparison. |