Refinement of iron ore sinter phases : a silico-ferrite of calcium and aluminium (SFCA) and an Al-free SFC, and the effect on phase quantification by X-ray diffraction

dc.contributor.authorLiles, David C.
dc.contributor.authorDe Villiers, J.P.R. (Johan)
dc.contributor.authorKahlenberg, Volker
dc.contributor.emailjohan.devilliers@up.ac.zaen_ZA
dc.date.accessioned2017-05-10T05:56:37Z
dc.date.available2017-05-10T05:56:37Z
dc.date.issued2016-02
dc.description.abstractCrystals of a silico-ferrite of calcium and aluminium (SFCA) and an Al-free SFC were prepared from the melt by slow cooling of synthetically prepared mixtures and examined by single-crystal diffraction methods. Both crystals belong to the space group P-1. SFC has lattice parameters a = 9.1255(3) Å, b = 10.1189(3) Å, c = 10.6183(2) Å, α = 63.9554(9)°, β = 84.4964(11)°, γ = 65.6706(9)° with a final R(|F|) = 0.024. SFCA has a cell with a = 9.0738(9)Å, b = 10.0474(10)Å, c = 10.5611(10) Å, α = 64.061(3)°, β = 84.356(3)°, γ = 65.722(3)° with a final R(|F|) = 0.030. The SFC structure was transformed to the cell used by Hamilton et al. (1989) and refined to an R(|F|) = 0.024. All the atomic positions are equivalent to those reported by Hamilton et al. (1989) with the exception of one (Ca,Fe) position and two oxygen positions that are displaced from the published positions by 0.5y (Ca,Fe1), 0.5z (O4), or 0.5x (O12). This is ascribed to transcription errors in the published crystal structure data. The calculated powder pattern of SFCA (this study) was compared with the experimental data and it shows that the low angle peak intensities agree significantly better than those calculated from the published atomic positions. Additional electron density is located in proximity to the octahedral and tetrahedral cation sites of the main structure. These positions, coupled with the partially occupied cation sites of the main structure, suggest a minor sharing of cations between the main cation sites and the additional sites.en_ZA
dc.description.departmentChemistryen_ZA
dc.description.departmentMaterials Science and Metallurgical Engineeringen_ZA
dc.description.librarianhb2017en_ZA
dc.description.urihttp://link.springer.com/journal/710en_ZA
dc.identifier.citationLiles, DC, De Villiers, JPR & Kahlenberg, V 2016, 'Refinement of iron ore sinter phases : a silico-ferrite of calcium and aluminium (SFCA) and an Al-free SFC, and the effect on phase quantification by X-ray diffraction', Mineralogy and Petrology, vol. 110, no. 1, pp. 141-147.en_ZA
dc.identifier.issn0930-0708 (print)
dc.identifier.issn1438-1168 (online)
dc.identifier.other10.1007/s00710-015-0411-5
dc.identifier.urihttp://hdl.handle.net/2263/60301
dc.language.isoenen_ZA
dc.publisherSpringeren_ZA
dc.rights© Springer-Verlag Wien 2015. The original publication is available at : http://link.springer.comjournal/710.en_ZA
dc.subjectCrystalsen_ZA
dc.subjectX-ray diffractionen_ZA
dc.subjectRefinement of iron ore sinter phasesen_ZA
dc.subjectSilico-ferrite of calcium and aluminium (SFCA)en_ZA
dc.subjectAl-free SFCen_ZA
dc.subject.otherEngineering, built environment and information technology articles SDG-04
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dc.subject.otherEngineering, built environment and information technology articles SDG-07
dc.subject.otherSDG-07: Affordable and clean energy
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dc.titleRefinement of iron ore sinter phases : a silico-ferrite of calcium and aluminium (SFCA) and an Al-free SFC, and the effect on phase quantification by X-ray diffractionen_ZA
dc.typePostprint Articleen_ZA

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