Figure 3
Rietveld fit (Rwp = 0.126, Rexp = 0.121, Rp = 0.096, goodness-of-fit = 1.04) of the PXRD data with a model calculated from the structural data of the single-crystal structure determination. Black dots indicate raw data, while the red line indicates the calculated model. Tick marks (green) are the 2θ positions for the hkl reflections. The difference curve is shown in blue. |