Improved structural model of Pb-doped gamma-Bi2O3: (Bi23.68Pb0.32)(Bi1.28Pb0.72)O-38.48
Само за регистроване кориснике
2012
Чланак у часопису (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
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.
Кључне речи:
Bi24PbO37 / sillenite / crystal structure / Rietveld refinement / bond valence / mixed sitesИзвор:
Powder Diffraction, 2012, 27, 1, 2-7Издавач:
- J C P D S-Int Centre Diffraction Data, Newtown Sq
Финансирање / пројекти:
- 0-3D наноструктуре за примену у електроници и обновљивим изворима енергије: синтеза, карактеризација и процесирање (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-45007)
DOI: 10.1017/S0885715612000073
ISSN: 0885-7156
WoS: 000314694400002
Scopus: 2-s2.0-84879802300
Институција/група
Tehnološko-metalurški fakultetTY - JOUR AU - Dapčević, Aleksandra AU - Poleti, Dejan AU - Karanović, Ljiljana PY - 2012 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/2159 AB - 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. PB - J C P D S-Int Centre Diffraction Data, Newtown Sq T2 - Powder Diffraction T1 - Improved structural model of Pb-doped gamma-Bi2O3: (Bi23.68Pb0.32)(Bi1.28Pb0.72)O-38.48 EP - 7 IS - 1 SP - 2 VL - 27 DO - 10.1017/S0885715612000073 ER -
@article{ author = "Dapčević, Aleksandra and Poleti, Dejan and Karanović, Ljiljana", year = "2012", 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.", publisher = "J C P D S-Int Centre Diffraction Data, Newtown Sq", journal = "Powder Diffraction", title = "Improved structural model of Pb-doped gamma-Bi2O3: (Bi23.68Pb0.32)(Bi1.28Pb0.72)O-38.48", pages = "7-2", number = "1", volume = "27", doi = "10.1017/S0885715612000073" }
Dapčević, A., Poleti, D.,& Karanović, L.. (2012). Improved structural model of Pb-doped gamma-Bi2O3: (Bi23.68Pb0.32)(Bi1.28Pb0.72)O-38.48. in Powder Diffraction J C P D S-Int Centre Diffraction Data, Newtown Sq., 27(1), 2-7. https://doi.org/10.1017/S0885715612000073
Dapčević A, Poleti D, Karanović L. Improved structural model of Pb-doped gamma-Bi2O3: (Bi23.68Pb0.32)(Bi1.28Pb0.72)O-38.48. in Powder Diffraction. 2012;27(1):2-7. doi:10.1017/S0885715612000073 .
Dapčević, Aleksandra, Poleti, Dejan, Karanović, Ljiljana, "Improved structural model of Pb-doped gamma-Bi2O3: (Bi23.68Pb0.32)(Bi1.28Pb0.72)O-38.48" in Powder Diffraction, 27, no. 1 (2012):2-7, https://doi.org/10.1017/S0885715612000073 . .