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Improved structural model of Pb-doped gamma-Bi2O3: (Bi23.68Pb0.32)(Bi1.28Pb0.72)O-38.48
dc.creator | Dapčević, Aleksandra | |
dc.creator | Poleti, Dejan | |
dc.creator | Karanović, Ljiljana | |
dc.date.accessioned | 2021-03-10T11:52:17Z | |
dc.date.available | 2021-03-10T11:52:17Z | |
dc.date.issued | 2012 | |
dc.identifier.issn | 0885-7156 | |
dc.identifier.uri | http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2159 | |
dc.description.abstract | A polycrystalline single-phase sample with nominal composition Bi24PbO37 was synthesized from Bi2O3 and PbO by a high-temperature solid state reaction at 690 degrees C for 1.5 h. The compound adopts Bi12SiO20-type structure [cubic, space group I23 (No. 197); a = 10.24957(3) angstrom] and was refined to R-p = 7.96%, R-wp = 10.4%, R-exp = 8.43%, R-B = 3.06%, and S = 1.23. The distributions of Pb2+ and Bi3+ over cationic sites based on the X-ray powder diffraction data were determined using a combination of the Rietveld refinement and bond valence calculations. The results showed that the asymmetric unit contains two mixed cation sites: the fully occupied 24f site and the partly occupied 8c site, with the unit-cell content (Bi23.68Pb0.32)(Bi1.28Pb0.72)O-38.48. The structural constraints favor a preference of Pb2+ ion for the 8c site, i.e. only 1.3% of Bi3+ is substituted by Pb2+ at the 24f site and 36% at the 8c site. At the 24f site, the cations are surrounded by 5 + 2 or in a very small amount by 5 + 1 + 2 oxide ions, forming a base bicapped square pyramid or a bicapped highly deformed octahedron, respectively. At the 8c site, the cations with three oxide ions form a trigonal pyramid with the cations at the apex. | en |
dc.publisher | J C P D S-Int Centre Diffraction Data, Newtown Sq | |
dc.relation | info:eu-repo/grantAgreement/MESTD/Integrated and Interdisciplinary Research (IIR or III)/45007/RS// | |
dc.rights | restrictedAccess | |
dc.source | Powder Diffraction | |
dc.subject | Bi24PbO37 | en |
dc.subject | sillenite | en |
dc.subject | crystal structure | en |
dc.subject | Rietveld refinement | en |
dc.subject | bond valence | en |
dc.subject | mixed sites | en |
dc.title | Improved structural model of Pb-doped gamma-Bi2O3: (Bi23.68Pb0.32)(Bi1.28Pb0.72)O-38.48 | en |
dc.type | article | |
dc.rights.license | ARR | |
dc.citation.epage | 7 | |
dc.citation.issue | 1 | |
dc.citation.other | 27(1): 2-7 | |
dc.citation.rank | M23 | |
dc.citation.spage | 2 | |
dc.citation.volume | 27 | |
dc.identifier.doi | 10.1017/S0885715612000073 | |
dc.identifier.scopus | 2-s2.0-84879802300 | |
dc.identifier.wos | 000314694400002 | |
dc.type.version | publishedVersion |