Add time:08/31/2019         Source:sciencedirect.com

The compound of Ba2Sb7O13(OH) was synthesized by using hydrothermal method from starting reagents of Ba(OH)2·8H2O, Sb2O3 and KCl. The crystal structure of Ba2Sb7O13(OH) was determined and characterized by single crystal X-ray diffraction method. Ba2Sb7O13(OH) represents a novel two-dimensional layered structure which is composed of SbVO6 and SbIIIO4 polyhedra through sharing corner oxygen atoms. Two types of Sb cations with Sb3+ in sphenoid SbO4 polyhedra and Sb5+ in octahedral SbO6 fashion are mixed in the crystal structure. First-principles electronic structure calculations based on the density functional theory (DFT), as well as the optical diffuse reflectance spectroscopy measurements, indicate that the compound belongs to an indirect band semiconductor with optical band gap of 2.7 eV.

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