Sr3Bi2(SeO3)(6)center dot H2O: A novel anionic layer consisting of second-order Jahn-Teller (SOJT) distortive cations

Abstract

A new layered bismuth selenite hydrate material, Sr3Bi2(SeO3)(6)center dot H2O has been synthesized through a hydrothermal reaction using SrCO3, Bi2O3, SeO2, and water as reagents. The crystal structure of the reported material has been determined by single crystal X-ray diffraction analysis. The anionic layered framework of Sr3Bi2(SeO3)6 center dot H2O consists of polyhedra of second-order Jahn-Teller (SOJT) distortive cations, Bi3+ and Se4+. Attributable to the variable and asymmetric coordination geometry of the constituent cations, a rich structural chemistry including uni-dimensional bands and linkers is observed in the layer. The material is thermally stable up to about 390 degrees C and starts decomposing due to the sublimation of SeO2 above the temperature. The UV-vis diffuse reflectance spectrum suggests a band gap of 3.3 eV. Elemental analysis, infrared spectrum, local dipole moment calculations, and electronic structure calculations are also reported. (C) 2014 Elsevier Inc. All rights reserved.