Crystal chemistry of the orthorhombic Ln2TiO5 compounds with Ln=La, Pr, Nd, Sm, Gd, Tb and Dy

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dc.contributor.authorAughterson, RDen_AU
dc.contributor.authorLumpkin, GRen_AU
dc.contributor.authorThorogood, GJen_AU
dc.contributor.authorZhang, ZMen_AU
dc.contributor.authorGault, Ben_AU
dc.contributor.authorCairney, JMen_AU
dc.date.accessioned2017-04-10T06:37:49Zen_AU
dc.date.available2017-04-10T06:37:49Zen_AU
dc.date.issued2015-07-01en_AU
dc.date.statistics2017-04-10en_AU
dc.description.abstractThe crystal structures of seven samples of orthorhombic (Pnma) Ln2TiO5 compounds with Ln=La, Pr, Nd, Sm, Gd, Tb and Dy were refined by Rietveld analysis of synchrotron X-ray powder diffraction (S-XRD) data. With increasing size of the lanthanide cation, the lattice parameters increase systematically: c by only ~1.5% whereas both a and b by ~6% from Dy2TiO5 to La2TiO5. The mean Ti–O bond length only increases by ~1% with increasing radius of the Ln cation from Gd to La, primarily due to expansion of the pair of Ti–O3 bonds to opposite corners of the Ti–O5 square based pyramid polyhedra. For Dy2TiO5 and Tb2TiO5, a significant variation in Ti–O1 and Ti–O4 bond lengths results in an increased deformation of the Ti–O5 base. The particular configuration consists of large rhombic shaped tunnels and smaller triangular tunnels along the b axis, which have implications for defect formation and migration caused by radiation damage or the ionic conductivity. © 2017 Elsevier B.V.en_AU
dc.identifier.citationAughterson, R. D., Lumpkin, G.R., Thorogood, G. J., Zhang, Z., Gault, B., & Cairney, J. M. (2015). Crystal chemistry of the orthorhombic Ln2TiO5 compounds with Ln=La, Pr, Nd, Sm, Gd, Tb and Dy. Journal of Solid State Chemistry, 227, 60-67. doi:10.1016/j.jssc.2015.03.003en_AU
dc.identifier.govdoc8086en_AU
dc.identifier.issn0022-4596en_AU
dc.identifier.journaltitleJournal of Solid State Chemistryen_AU
dc.identifier.pagination60-67en_AU
dc.identifier.urihttp://dx.doi.org/10.1016/j.jssc.2015.03.003en_AU
dc.identifier.urihttp://apo.ansto.gov.au/dspace/handle/10238/8541en_AU
dc.identifier.volume227en_AU
dc.language.isoenen_AU
dc.publisherElsevieren_AU
dc.subjectRare earthsen_AU
dc.subjectLattice parametersen_AU
dc.subjectValenceen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectCrystal structureen_AU
dc.subjectOrthorhombic latticesen_AU
dc.titleCrystal chemistry of the orthorhombic Ln2TiO5 compounds with Ln=La, Pr, Nd, Sm, Gd, Tb and Dyen_AU
dc.typeJournal Articleen_AU
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