Figure 3
A section of the final observed and calculated plot for the Pawley fit to all five data sets (Rwp = 5.04): 90 K = blue, 120 K = black, 150 K = green, 180 K = pink, 210 K = orange. Note in particular the tickmarks at (i) ∼16.1°, showing reflections 022 and 121 split at 90 K, completely overlapping by 180 K and crossed-over at 210 K; and (ii) ∼17.3°, showing reflections 11 and 01 splitting as the temperature is increased from 90 to 210 K. |