Please use this identifier to cite or link to this item: http://hdl.handle.net/10773/37550
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dc.contributor.authorFerdov, Stanislavpt_PT
dc.contributor.authorLin, Zhipt_PT
dc.date.accessioned2023-05-05T14:58:57Z-
dc.date.available2023-05-05T14:58:57Z-
dc.date.issued2019-05-
dc.identifier.issn0022-4596pt_PT
dc.identifier.urihttp://hdl.handle.net/10773/37550-
dc.description.abstractSodium hafnium germanate, Na3Hf1.7Ge3O10(OH)1.8, with garnet-type of structure was synthesized as a single phase, nanoparticles (100–600 nm) at mild hydrothermal conditions (230 °C) and autogenous pressure. The structure was solved ab initio from powder X-ray diffraction data and subsequently refined [Rexp: 6.10, Rwp: 7.26, Rp: 5.39, GOF: 1.19, RB: 1.50] by the method of Rietveld. The solid crystallizes in cubic space group Ia-3d (230), with a = 12.6819(2) Å, V = 2039.65(1) Å3 and Z = 8. The structure is built up of rare combination of two tetravalent (Ge4+ and Hf4+) and one monovalent (Na+) cation alternating in form corner-sharing GeO4 tetrahedra and HfO6 octahedra whose negative charge is compensated by Na+ residing in dodecahedral coordination. Unlike the typical tetrahedral site disorder in hydrogarnets (hydrogrossular, hibschite, and katoite) we found that the octahedral position of the heavy Hf4+ cation is partly vacant which reveals alternative mechanism of charge unbalance leading to incorporation of hydroxyl group. Furthermore, the synthesized material is the first hafnium germanate with garnet-type of structure and the second known sodium hafnium germanate.pt_PT
dc.language.isoengpt_PT
dc.publisherElsevierpt_PT
dc.relationinfo:eu-repo/grantAgreement/FCT/Investigador FCT/IF%2F01516%2F2013%2FCP1158%2FCT0017/PTpt_PT
dc.relationinfo:eu-repo/grantAgreement/FCT/6817 - DCRRNI ID/UID%2FCTM%2F50011%2F2013/PTpt_PT
dc.rightsopenAccesspt_PT
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/pt_PT
dc.subjectHafnium garnetpt_PT
dc.subjectHydrogarnetpt_PT
dc.subjectHydrothermal synthesispt_PT
dc.subjectNanoparticlespt_PT
dc.subjectDisorderpt_PT
dc.subjectHydroxyl inclusionpt_PT
dc.subjectCrystal structurept_PT
dc.titleThe first hafnium germanate with garnet-type of structure: mild hydrothermal synthesis, crystal structure and new mechanism of hydroxyl inclusionpt_PT
dc.typearticlept_PT
dc.description.versionpublishedpt_PT
dc.peerreviewedyespt_PT
degois.publication.firstPage117pt_PT
degois.publication.lastPage121pt_PT
degois.publication.titleJournal of Solid State Chemistrypt_PT
degois.publication.volume273pt_PT
dc.identifier.doi10.1016/j.jssc.2019.02.031pt_PT
dc.identifier.essn1095-726Xpt_PT
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