“…EXAFS spectra at both edges were analysed using two theoretical approaches. The contributions from the first and second coordination shells of Zn, composed of oxygen and zinc atoms, respectively, and the first coordination shell of Sb, composed of oxygen atoms, were analysed using the conventional EXAFS equation within the singlescattering approximation [29,31]. The required backscattering amplitude and phase shift functions for Zn-O, Zn-Zn, and Sb-O atom pairs were calculated using ab initio self-consistent real-space multiple-scattering (MS) FEFF 8.50 L code [32,33].…”