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dc.contributor.authorBabaryk, Artem A.-
dc.contributor.authorOdynets, Ievgen V.-
dc.contributor.authorKhainakov, Sergei-
dc.contributor.authorSlobodyanik, Nikolay S.-
dc.contributor.authorGarcía-Granda, Santiago-
dc.date.accessioned2013-09-27T11:07:22Z-
dc.date.available2013-09-27T11:07:22Z-
dc.date.issued2013-07-
dc.identifier.citationCrystEngComm 15(27): 5539-5544 (2013)es_ES
dc.identifier.issn1466-8033-
dc.identifier.urihttp://hdl.handle.net/10261/82955-
dc.description.abstractThe successful application of molybdate flux for the crystal growth of complex tantalum oxide, verbi causa kalitantite, was shown at a submillimetre scale. The structure was determined via X-ray single crystal refinements (space group Rc, a = 627.32(2) pm, c = 3685.75(13) pm, V = 1256.11(7) pm3 × 10−6, Z = 6) to be an α-U3O8-type layered compound presenting the general formula Mx(Nb,Ta)3n+1O8n+3 (where n = 1 in the case of M being Na, Ca or Ag and n = 2 when M is La–Eu, Y or Bi), thus corroborating earlier studies. Experimental evaluations and complementary ab initio calculations revealed the semiconductor nature of K2Ta4O11. The former were used to explain the vibrational spectrum in the mid-infrared range of wavenumbers.es_ES
dc.description.sponsorshipSGG is grateful for financial support from ERDF and the Spanish MINECO (MAT2010-15094).es_ES
dc.language.isoenges_ES
dc.publisherRoyal Society of Chemistry (UK)es_ES
dc.rightsclosedAccesses_ES
dc.titleK2Ta4O11 (“kalitantite”): a wide band gap semiconductor synthesized in molybdate flux mediumes_ES
dc.typeartículoes_ES
dc.identifier.doi10.1039/C3CE27067J-
dc.description.peerreviewedPeer reviewedes_ES
dc.relation.publisherversionhttp://dx.doi.org/10.1039/C3CE27067Jes_ES
dc.contributor.funderEuropean Commission-
dc.contributor.funderMinisterio de Economía y Competitividad (España)-
dc.relation.csic-
dc.identifier.funderhttp://dx.doi.org/10.13039/501100000780es_ES
dc.identifier.funderhttp://dx.doi.org/10.13039/501100003329es_ES
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