Combined X-ray and neutron diffraction study of vacancies and disorder in the dimorphic clathrate Ba8Ga16Sn30 of type I and VIII

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dc.contributor.authorChristensen, Sen_AU
dc.contributor.authorAvila, MAen_AU
dc.contributor.authorSuekuni, Ken_AU
dc.contributor.authorPiltz, ROen_AU
dc.contributor.authorTakabatake, Ten_AU
dc.contributor.authorChristensen, Men_AU
dc.date.accessioned2014-04-24T03:43:07Zen_AU
dc.date.available2014-04-24T03:43:07Zen_AU
dc.date.issued2013-01-01en_AU
dc.date.statistics2014-04-24en_AU
dc.description.abstractWe report detailed structural investigations of the dimorphic clathrate Ba8Ga16Sn30 that crystallizes in both type I and VIII clathrate structures. Single crystals of type I and VIII have been examined using single crystal X-ray and Laue neutron diffraction in the temperature range T = 10 K-500 K. The utilization of both X-ray and neutron diffraction gives a unique ability to reveal the occurrence of minute vacancy occupancies in the host structure. The vacancies are shown to be located on the 6c (type I) and 24g (type VIII) framework sites. Largest vacancy densities are observed for type I p-Ba8Ga16Sn30, 1.3(4)%, and type VIII n-Ba8Ga16Sn30, 0.7(2)%. The relation between guest atom disorder and occurrence of glasslike thermal conductivity in intermetallic clathrates was also investigated. In type VIII Ba8Ga16Sn30 neither n-type (crystalline thermal conductivity) nor p-type (glasslike thermal conductivity) showed any significant disorder of the guest atoms; they do however show anharmonic motion. The glasslike thermal conductivity of p-type Ba8Ga16Sn30 is interpretable as a result of higher effective mass of p-type charge-carriers affecting phonon scattering. In type I Ba8Ga16Sn30 guest atoms are highly disordered for both carrier types and samples of both charge carrier types have glasslike thermal conductivity. © 2013, Royal Society of Chemistry.en_AU
dc.identifier.citationChristensen, S., Avila, M. A., Suekuni, K., Piltz, R., Takabatake, T., & Christensen, M. (2013). Combined X-ray and neutron diffraction study of vacancies and disorder in the dimorphic clathrate Ba8Ga16Sn30 of type I and VIII. Dalton Transactions, 42(41), 14766-14775. doi:10.1039/c3dt51328aen_AU
dc.identifier.govdoc5411en_AU
dc.identifier.issn1477-9226en_AU
dc.identifier.issue41en_AU
dc.identifier.journaltitleDalton Transactionsen_AU
dc.identifier.pagination14766-14775en_AU
dc.identifier.urihttp://dx.doi.org/10.1039/c3dt51328aen_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/5481en_AU
dc.identifier.volume42en_AU
dc.language.isoenen_AU
dc.publisherRoyal Society of Chemistryen_AU
dc.subjectX-ray lasersen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectNeutronsen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectCrystalsen_AU
dc.subjectEntropyen_AU
dc.titleCombined X-ray and neutron diffraction study of vacancies and disorder in the dimorphic clathrate Ba8Ga16Sn30 of type I and VIIIen_AU
dc.typeJournal Articleen_AU
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