Are scandium sulfate complexes an effective means of scandium mobilization?

Data for the manuscript titled "Are scandium sulfate complexes an effective means of scandium mobilization?” by Zhang, Xue-Ni; Williams-Jones, Anthony.E.; Yuan, Shun-Da; Wang, Jiaxin (2024). Table 1 shows the conditions for the AIMD simulation of the geometry of Sc-sulfate complexes at 175 - 250 oC and vapor-saturated water pressure. Table 2 shows the conditions for and results of experiments investigating the speciation of Sc in sulfate-bearing aqueous solutions. Table 3 shows bond lengths and configurations predicted by AIMD simulations for Sc-SO4 complexes. Table 4 shows the formation constants (log β) at temperatures from 175 to 250 oC for the scandium species identified in this study. Table 5 shows the Ryzhenko–Bryzgalin (MRB) model parameters for Sc(SO4)2-. Table 6 shows the equilibrium constants (log k) and their associated uncertainty (2σ) for the Sc2O3 dissolution reaction. Table 7 show the published formation constants for Sc3+sulfate complexes at ambient temperature. Supplementary files show the X-Ray diffractogram (XRD) for Sc2O3 after completion of experiments.