Ab initio structure determinations of high-performance radioactive waste forms

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dc.contributor.authorCarter, MLen_AU
dc.contributor.authorWallwork, KSen_AU
dc.contributor.authorJames, Men_AU
dc.contributor.authorWithers, RLen_AU
dc.date.accessioned2022-12-14T23:33:34Zen_AU
dc.date.available2022-12-14T23:33:34Zen_AU
dc.date.issued2006-11-15en_AU
dc.date.statistics2020-05-20en_AU
dc.descriptionPhysical copy held by ANSTO Library at DDC 539.7213/3. Part Ien_AU
dc.description.abstractImmobilisation of high-level radioactive wastes in stable matrices for long-term storage or geological disposal is a key step in closing the nuclear fuel cycle. Titanate minerals have shown much promise in their capacity to take up radioactive elements into their crystal structures at regular lattice sites in pyrochlore and brannerite phases. Previously unreported uranyl titanates BaUTiO6 and Na2U3Ti2O11 have been synthesised under argon at 1400 and 1250 deg. C, respectively and their structures determined by ab initio techniques using a combination of electron, synchrotron and neutron powder diffraction. BaUTiO6 crystallises with a carnotite-type structure (P21/c; a=6.4463(1) A, b=8.5999(1) A, c=10.2532(1) A; >=75.936(1)o and V=551.36(1) A3); while Na2U3Ti2O11 forms an orthorhombic structure (Pnma; a=31.0421(8) A, b=7.2774(2) A, c=7.6111(2) A and V=1719.4(1) A3). Due to their potential value as a radioactive waste forms, the leach rates of uranium, barium and sodium were determined. Normalised uranium leach rates from BaUTiO6 and Na2U3Ti2O11, averaged over 7 days were orders of magnitude less than those for brannerite and for U-containing pyrochlore waste forms. Crown Copyright © 2006 Published by Elsevier B.Ven_AU
dc.identifier.citationCarter, M., Wallwork, K., James, M., & Withers, R. (2006). Ab initio structure determinations of high-performance radioactive waste forms. Paper presented at the Eighth International Conference on Neutron Scattering (ICNS 2005), "Neutrons for structure and dynamics - a new era", Sydney, Australia, 27 November to 2 December 2005. In Campbell, S. J., Cadogan, J. M., Furusaka, M., Hauser, N., & James, M. (Eds), Physica B: Condensed Matter, 385-386(Part 1), 535-537. doi:10.1016/j.physb.2006.05.273en_AU
dc.identifier.conferenceenddate2 December 2005en_AU
dc.identifier.conferencenameEighth International Conference on Neutron Scattering ICNS 2005: 'Neutrons for structure and dynamics - a new eraen_AU
dc.identifier.conferenceplaceSydney, Australiaen_AU
dc.identifier.conferencestartdate27 November 2005en_AU
dc.identifier.editorsCampbell, S. J., Cadogan, J. M., Furusaka, M., Hauser, N., & James, M.en_AU
dc.identifier.issn0921-4526en_AU
dc.identifier.issuePart 1en_AU
dc.identifier.journaltitlePhysica B: Condensed Matteren_AU
dc.identifier.pagination535-537en_AU
dc.identifier.urihttps://doi.org/10.1016/j.physb.2006.05.273en_AU
dc.identifier.urihttps://apo.ansto.gov.au/dspace/handle/10238/14183en_AU
dc.identifier.volume385-386en_AU
dc.language.isoenen_AU
dc.publisherElsevier B. V.en_AU
dc.subjectActinidesen_AU
dc.subjectAlkaline earth metalsen_AU
dc.subjectCoherent scatteringen_AU
dc.subjectCrystal latticesen_AU
dc.subjectCrystal structureen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectMetalsen_AU
dc.subjectMineralsen_AU
dc.subjectRadioactive materialsen_AU
dc.subjectRadioactive mineralsen_AU
dc.subjectRadioactive wastesen_AU
dc.subjectScatteringen_AU
dc.subjectSeparation processesen_AU
dc.subjectTitanium compoundsen_AU
dc.subjectTransition element compoundsen_AU
dc.subjectUranium mineralsen_AU
dc.titleAb initio structure determinations of high-performance radioactive waste formsen_AU
dc.typeConference Paperen_AU
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