This data set encompasses a complete analysis of synchrotron speciation data for 5 iron nanoparticle samples (P1, P2, P3, S1, S2, and metallic iron) to include linear combination fitting results (Table 6 and Figure 9) and ab-initio extended x-ray absorption fine structure spectroscopy fitting (Figure 10 and Table 7). Table 6: Linear combination fitting of the XAS data for the 5 commercial nZVI/ZVI products tested. Species proportions are presented as percentages. Goodness of fit is indicated by the chi^2 value. Figure 9: Normalised Fe K-edge k3-weighted EXAFS of the 5 commercial nZVI/ZVI products tested. Dotted lines show the best 4-component linear combination fit of reference spectra. Figure 10: Fourier transformed radial distribution functions (RDFs) of the five samples and an iron metal foil. The black lines in Fig. 10 represent the sample data and the red dotted curves represent the non-linear fitting results of the EXAFS data. Table 7: Coordination parameters of Fe in the samples.

This dataset is associated with the following publication: Chekli, L., B. Bayatsarmadi, R. Sekine, B. Sarkar, A. Maoz Shen, K. Scheckel , W. Skinner, R. Naidu, H. Shon, E. Lombi, and E. Donner. Analytical Characterisation of Nanoscale Zero-Valent Iron: A Methodological Review. Richard P. Baldwin ANALYTICA CHIMICA ACTA. Elsevier Science Ltd, New York, NY, USA, 903: 13-35, (2016).