Fig. 4: Rietveld refinement and relative fraction of reo domains in defective Hf-UiO-66.
From: Synthetic control of correlated disorder in UiO-66 frameworks
a Top: correlation of the relative fraction of the reo phase (χreo) percentage calculated from the Rietveld refinement of samples produced at varying linker to metal (L/M) ratios. Bottom: comparison of the evolution in cluster connectivity determined by refinement of linker occupancies (solid line) and TGA compositional analysis (dashed line). Grape and maroon dots correspond to near ideal reo and fcu crystallographic phases. Solid lines are a guide to the eye. Rietveld refinement and experimental structures of the b 12-c fcu and c 8-c reo phases of Hf-UiO-66. Experimental (hollow dots), calculated (solid line), difference plot [(Iobs-Icalc)] (line, bottom panel) and Bragg positions (ticks, bottom panel). Atoms are represented in color: zirconium (blue polyhedron), oxygen (red), carbon (gray sticks). See Supplementary Table 7 and Figs. 13 and 14 for more details on the refinement of all samples.
