shown in Figure and Table , reveal that some fits have smaller weighted residuals (R w ) than others. Additionally, certain models better reproduce the higher-r Zr-Zr peak around 4 Å. The clusters g 2,2 (pure O-vacancies) and g 4,2 (missing linkers plus O-vacancies) best match the distortions in aDUT-67, agreeing with our expectations from TGA that aDUT-67 contains some missing linkers (∼ 3%) and mostly dehydrated clusters. Both models yielded a R w of 36%, close to R w of 32% obtained from fitting the pristine cluster g 0 to DUT-67 (Figure ). The fitted phases of the distorted clusters are plotted alongside the structural models in Figure -e, with a pure missing-linker case (without O-vacancies) included for comparison.