Coupling stable isotope analyses and X-ray absorption spectroscopy to investigate the molecular mechanism of zinc sorption by calcite (1.0)
Description
The dataset shows the results regarding Zn sorption on calcite, including macroscopic sorption data, Zn isotopic data, X-ray absorption spectroscopy data, XRD data and DFT input file. Summary of studies investigating Zn sorption mechanisms on calcite are shown in Table 1. Calculated bond length and 1000 lnβ (298 K) of aqueous Zn2+ clusters and Zn-containing solid phase and corresponding Zn isotopic fractionations are shown in Table 2. Summary of chemical and isotopic results of Zn sorption experiments are shown in Table 3. Structural parameters derived from EXAFS spectra fitting for Zn sorption samples and reference compounds are shown in Table 4. Ionic activity products (IAP) and saturation indices (SI) of possible precipitates for initial solution with [Zn]i of 5μM, 10 μM and 100 μM are shown in Table S1&S2. Mass percentages of Zn for Zn sorption samples calculated from LCF analysis are shown in Table S3.