Sr{sub 3}Bi{sub 2}(SeO{sub 3}){sub 6}·H{sub 2}O: A novel anionic layer consisting of second-order Jahn–Teller (SOJT) distortive cations
- Department of Chemistry, Chung-Ang University, 84 Heukseok-ro, Dongjak-gu, Seoul 156-756 (Korea, Republic of)
- Institute for Shock Physics, Washington State University, Pullman, WA 99164-2816 (United States)
A new layered bismuth selenite hydrate material, Sr{sub 3}Bi{sub 2}(SeO{sub 3}){sub 6}·H{sub 2}O has been synthesized through a hydrothermal reaction using SrCO{sub 3}, Bi{sub 2}O{sub 3}, SeO{sub 2}, 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 Sr{sub 3}Bi{sub 2}(SeO{sub 3}){sub 6}·H{sub 2}O consists of polyhedra of second-order Jahn–Teller (SOJT) distortive cations, Bi{sup 3+} and Se{sup 4+}. 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 °C and starts decomposing due to the sublimation of SeO{sub 2} 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. - Graphical abstract: Ball-and-stick and polyhedral representation of Sr{sub 3}Bi{sub 2}(SeO{sub 3}){sub 6}·H{sub 2}O in the ab-plane. The stereoactive lone pairs are visualized around the Bi{sup 3+} and Se{sup 4+} as lobelike isosurfaces through ELF calculations with η=0.9. - Highlights: • A novel layered bismuth selenite, Sr{sub 3}Bi{sub 2}(SeO{sub 3}){sub 6}·H{sub 2}O has been hydrothermally synthesized. • The layer is only composed of second-order Jahn–Teller distortive cations in asymmetric environments. • The stereoactive lone pairs are visualized as lobelike isosurfaces through ELF calculations.
- OSTI ID:
- 22443480
- Journal Information:
- Journal of Solid State Chemistry, Vol. 221; Other Information: Copyright (c) 2014 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); ISSN 0022-4596
- Country of Publication:
- United States
- Language:
- English
Similar Records
Synthesis, structure, and characterization of two new bismuth(III) selenite/tellurite nitrates: [(Bi{sub 3}O{sub 2})(SeO{sub 3}){sub 2}](NO{sub 3}) and [Bi(TeO{sub 3})](NO{sub 3})
New quaternary alkali metal cadmium selenites, A{sub 2}Cd(SeO{sub 3}){sub 2} (A = K, Rb, and Cs) and Li{sub 2}Cd{sub 3}(SeO{sub 3}){sub 4}
Related Subjects
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
BISMUTH
BISMUTH IONS
BISMUTH OXIDES
CATIONS
CRYSTAL STRUCTURE
DIPOLE MOMENTS
ELECTRONIC STRUCTURE
HYDRATES
HYDROTHERMAL SYNTHESIS
INFRARED SPECTRA
MONOCRYSTALS
SELENITES
SELENIUM IONS
SELENIUM OXIDES
STRONTIUM CARBONATES
SUBLIMATION
WATER
X-RAY DIFFRACTION