Schilling, H.Wolff, H.Dronskowski, RichardLerch, Martin2018-10-102018-10-1020060932-0776https://depositonce.tu-berlin.de/handle/11303/8317http://dx.doi.org/10.14279/depositonce-7468Fluorite-type phases in the system Y-Ta-O-N have been prepared by ammonolysis of Y-Ta-O precursors. X-ray powder patterns show unusual asymmetrical reflection profiles explained by DFT and MD methods. The anion vacancy concentration of some of these oxynitrides is similar to that of yttria-doped zirconia, commercially used as solid electrolyte in fuel cells. Hence, these compounds are interesting candidates for mixed oxygen-nitrogen superion conductorsen540 Chemie und zugeordnete WissenschaftenTantalum OxynitrideFluorite-type structuresynthesiscomputational chemistryArticle1865-7117