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dc.contributor.authorCuesta-García, Ana María
dc.contributor.authorGómez-de-la-Torre, María de los Ángeles 
dc.contributor.authorRamírez-Losilla, Enrique 
dc.contributor.authorSantacruz-Cruz, María Isabel 
dc.contributor.authorGarcía-Aranda, Miguel Ángel 
dc.date.accessioned2017-05-19T11:40:42Z
dc.date.available2017-05-19T11:40:42Z
dc.date.issued2014
dc.identifier.citationCryst. Growth Des., 2014, 14 (10), pp 5158–5163es_ES
dc.identifier.issn1528-7483
dc.identifier.urihttp://hdl.handle.net/10630/13686
dc.description.abstractSodalites are tridimensional alumino-silicate materials containing cages where loosely bonded anions are located. Ye'elimite, Ca4[Al6O12]SO4, is outstanding as an aluminate sodalite with a flexible framework accepting several type of dopants with important structural consequences. Moreover, ye'elimite is also important from an applied perspective as it is the most relevant phase in calcium sulfoaluminate cements. The crystal structure of stoichiometric ye'elimite has recently been unraveled but the structure of dopant-containing ye'elimite, which is presents in cements, is not well studied. Here, we report the pseudo-cubic crystal structure of doped ye’elimite, Ca3.8Na0.2Al5.6Fe0.2Si0.2O12SO4, from high-resolution synchrotron powder diffraction data. The powder pattern is indexed with a cubic cell and a structural model is reported based on the I4̅3m space group. However, this compound displays diffraction peak narrowing on heating. Furthermore, some high-angle split peaks become single peak on heating and a phase transition is measured at 525ºC. Therefore, it is concluded that the crystal structure at room temperature has lower symmetry although it can be described as cubic. The structural study at 800ºC suggests a truly cubic structure and we speculate that this phase transition, on heating, is likely related with the dynamical disordering of the sulfate anions. Finally it is concluded that the high temperature cubic state was not quenchable to ambient, even when the tested chemical substituents are introduced into the structure.es_ES
dc.description.sponsorshipUniversidad de Málaga. Campus de Excelencia Internacional. Andalucía Tech.es_ES
dc.language.isoenges_ES
dc.publisherACS publicationses_ES
dc.rightsinfo:eu-repo/semantics/openAccesses_ES
dc.subjectCementoes_ES
dc.titlePseudo-cubic crystal structure and phase transition in doped ye'elimitees_ES
dc.typeinfo:eu-repo/semantics/articlees_ES
dc.centroFacultad de Cienciases_ES
dc.cclicenseby-nc-ndes_ES
dc.type.hasVersioninfo:eu-repo/semantics/submittedVersiones_ES


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