ChemInform Abstract: Synthesis, Crystal, and Electronic Structure of Ba₃Sb₂Q₇ (Q: S, Se).

Abstract

The new title compounds are synthesized by solid state reactions of stoichiometric mixtures of the elements (773 K for 24 h, 1173 K for 168 h, and 923 K for 96 h) and characterized by single crystal XRD, UV/VIS diffuse reflectance spectroscopy, and quantum chemical TB‐LMTO‐ASA computations.