A comprehensive examination of the local- and long-range structure of Sb6O13 pyrochlore oxide

Autores
Mayer, Sergio Federico; Rodrigues, Joao Elias; Marini, C.; Fernández-Díaz, M.T.; Falcón, H.; Asensio, M. C.; Alonso, J. A.
Año de publicación
2020
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
The crystal structure of the Sb6O13 oxide, exhibiting a defect pyrochlore crystal structure with atomic vacancies, has been studied using a complete set of state-of-the-art techniques. The degree of antimony disproportionation in Sb3+ and Sb5+ valence states has been directly determined around 36% and 64%, respectively, using X-ray absorption near edge structure (XANES). These findings are in excellent agreement with our Rietveld analysis of synchrotron X-ray (SXRD) and neutron powder diffraction (NPD) results. Moreover, the highly distorted Sb3+ coordination due to its lone electron pair has been critically revisited. The bonding distances and coordination of Sb3+ and Sb5+ species closely agree with an extensive dynamic and crystallographic determination using the Extended X-ray Absorption Fine Structure (EXAFS) technique. Most importantly, the specific local disorder of the two distinctive Sb ions has been crosschecked monitoring their unusual Debye–Waller factors.
Fil: Mayer, Sergio Federico. Instituto de Ciencia de Materiales de Madrid; España. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación en Nanociencia y Nanotecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Rodrigues, Joao Elias. Universidade de Sao Paulo; Brasil. Instituto de Ciencia de Materiales de Madrid; España
Fil: Marini, C.. CELLS–ALBA Synchrotron; España
Fil: Fernández-Díaz, M.T.. Institut Laue Langevin; Francia
Fil: Falcón, H.. Universidad Tecnológica Nacional. Facultad Regional Córdoba; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Centro de Investigación y Tecnología Química. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación y Tecnología Química; Argentina
Fil: Asensio, M. C.. Consejo Superior de Investigaciones Científicas; España. Instituto de Ciencia de Materiales de Madrid; España
Fil: Alonso, J. A.. Instituto de Ciencia de Materiales de Madrid; España
Materia
Sb6O13 oxide
Pyrochlore
X-ray Absorption Fine Structure (EXAFS)
X-ray absorption near edge structure (XANES)
Nivel de accesibilidad
acceso abierto
Condiciones de uso
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
Repositorio
CONICET Digital (CONICET)
Institución
Consejo Nacional de Investigaciones Científicas y Técnicas
OAI Identificador
oai:ri.conicet.gov.ar:11336/129855
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/129855
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling A comprehensive examination of the local- and long-range structure of Sb6O13 pyrochlore oxideMayer, Sergio FedericoRodrigues, Joao EliasMarini, C.Fernández-Díaz, M.T.Falcón, H.Asensio, M. C.Alonso, J. A.Sb6O13 oxidePyrochloreX-ray Absorption Fine Structure (EXAFS)X-ray absorption near edge structure (XANES)https://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1The crystal structure of the Sb6O13 oxide, exhibiting a defect pyrochlore crystal structure with atomic vacancies, has been studied using a complete set of state-of-the-art techniques. The degree of antimony disproportionation in Sb3+ and Sb5+ valence states has been directly determined around 36% and 64%, respectively, using X-ray absorption near edge structure (XANES). These findings are in excellent agreement with our Rietveld analysis of synchrotron X-ray (SXRD) and neutron powder diffraction (NPD) results. Moreover, the highly distorted Sb3+ coordination due to its lone electron pair has been critically revisited. The bonding distances and coordination of Sb3+ and Sb5+ species closely agree with an extensive dynamic and crystallographic determination using the Extended X-ray Absorption Fine Structure (EXAFS) technique. Most importantly, the specific local disorder of the two distinctive Sb ions has been crosschecked monitoring their unusual Debye–Waller factors.Fil: Mayer, Sergio Federico. Instituto de Ciencia de Materiales de Madrid; España. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación en Nanociencia y Nanotecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; ArgentinaFil: Rodrigues, Joao Elias. Universidade de Sao Paulo; Brasil. Instituto de Ciencia de Materiales de Madrid; EspañaFil: Marini, C.. CELLS–ALBA Synchrotron; EspañaFil: Fernández-Díaz, M.T.. Institut Laue Langevin; FranciaFil: Falcón, H.. Universidad Tecnológica Nacional. Facultad Regional Córdoba; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Centro de Investigación y Tecnología Química. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación y Tecnología Química; ArgentinaFil: Asensio, M. C.. Consejo Superior de Investigaciones Científicas; España. Instituto de Ciencia de Materiales de Madrid; EspañaFil: Alonso, J. A.. Instituto de Ciencia de Materiales de Madrid; EspañaNature Research2020-12info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/129855Mayer, Sergio Federico; Rodrigues, Joao Elias; Marini, C.; Fernández-Díaz, M.T.; Falcón, H.; et al.; A comprehensive examination of the local- and long-range structure of Sb6O13 pyrochlore oxide; Nature Research; Scientific Reports; 10; 1; 12-2020; 1-142045-2322CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1038/s41598-020-73860-0info:eu-repo/semantics/altIdentifier/url/https://www.nature.com/articles/s41598-020-73860-0info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T15:13:09Zoai:ri.conicet.gov.ar:11336/129855instacron:CONICETInstitucionalhttp://ri.conicet.gov.ar/Organismo científico-tecnológicoNo correspondehttp://ri.conicet.gov.ar/oai/requestdasensio@conicet.gov.ar; lcarlino@conicet.gov.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:34982025-10-15 15:13:09.93CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv A comprehensive examination of the local- and long-range structure of Sb6O13 pyrochlore oxide
title A comprehensive examination of the local- and long-range structure of Sb6O13 pyrochlore oxide
spellingShingle A comprehensive examination of the local- and long-range structure of Sb6O13 pyrochlore oxide
Mayer, Sergio Federico
Sb6O13 oxide
Pyrochlore
X-ray Absorption Fine Structure (EXAFS)
X-ray absorption near edge structure (XANES)
title_short A comprehensive examination of the local- and long-range structure of Sb6O13 pyrochlore oxide
title_full A comprehensive examination of the local- and long-range structure of Sb6O13 pyrochlore oxide
title_fullStr A comprehensive examination of the local- and long-range structure of Sb6O13 pyrochlore oxide
title_full_unstemmed A comprehensive examination of the local- and long-range structure of Sb6O13 pyrochlore oxide
title_sort A comprehensive examination of the local- and long-range structure of Sb6O13 pyrochlore oxide
dc.creator.none.fl_str_mv Mayer, Sergio Federico
Rodrigues, Joao Elias
Marini, C.
Fernández-Díaz, M.T.
Falcón, H.
Asensio, M. C.
Alonso, J. A.
author Mayer, Sergio Federico
author_facet Mayer, Sergio Federico
Rodrigues, Joao Elias
Marini, C.
Fernández-Díaz, M.T.
Falcón, H.
Asensio, M. C.
Alonso, J. A.
author_role author
author2 Rodrigues, Joao Elias
Marini, C.
Fernández-Díaz, M.T.
Falcón, H.
Asensio, M. C.
Alonso, J. A.
author2_role author
author
author
author
author
author
dc.subject.none.fl_str_mv Sb6O13 oxide
Pyrochlore
X-ray Absorption Fine Structure (EXAFS)
X-ray absorption near edge structure (XANES)
topic Sb6O13 oxide
Pyrochlore
X-ray Absorption Fine Structure (EXAFS)
X-ray absorption near edge structure (XANES)
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv The crystal structure of the Sb6O13 oxide, exhibiting a defect pyrochlore crystal structure with atomic vacancies, has been studied using a complete set of state-of-the-art techniques. The degree of antimony disproportionation in Sb3+ and Sb5+ valence states has been directly determined around 36% and 64%, respectively, using X-ray absorption near edge structure (XANES). These findings are in excellent agreement with our Rietveld analysis of synchrotron X-ray (SXRD) and neutron powder diffraction (NPD) results. Moreover, the highly distorted Sb3+ coordination due to its lone electron pair has been critically revisited. The bonding distances and coordination of Sb3+ and Sb5+ species closely agree with an extensive dynamic and crystallographic determination using the Extended X-ray Absorption Fine Structure (EXAFS) technique. Most importantly, the specific local disorder of the two distinctive Sb ions has been crosschecked monitoring their unusual Debye–Waller factors.
Fil: Mayer, Sergio Federico. Instituto de Ciencia de Materiales de Madrid; España. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación en Nanociencia y Nanotecnología; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina
Fil: Rodrigues, Joao Elias. Universidade de Sao Paulo; Brasil. Instituto de Ciencia de Materiales de Madrid; España
Fil: Marini, C.. CELLS–ALBA Synchrotron; España
Fil: Fernández-Díaz, M.T.. Institut Laue Langevin; Francia
Fil: Falcón, H.. Universidad Tecnológica Nacional. Facultad Regional Córdoba; Argentina. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba. Centro de Investigación y Tecnología Química. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación y Tecnología Química; Argentina
Fil: Asensio, M. C.. Consejo Superior de Investigaciones Científicas; España. Instituto de Ciencia de Materiales de Madrid; España
Fil: Alonso, J. A.. Instituto de Ciencia de Materiales de Madrid; España
description The crystal structure of the Sb6O13 oxide, exhibiting a defect pyrochlore crystal structure with atomic vacancies, has been studied using a complete set of state-of-the-art techniques. The degree of antimony disproportionation in Sb3+ and Sb5+ valence states has been directly determined around 36% and 64%, respectively, using X-ray absorption near edge structure (XANES). These findings are in excellent agreement with our Rietveld analysis of synchrotron X-ray (SXRD) and neutron powder diffraction (NPD) results. Moreover, the highly distorted Sb3+ coordination due to its lone electron pair has been critically revisited. The bonding distances and coordination of Sb3+ and Sb5+ species closely agree with an extensive dynamic and crystallographic determination using the Extended X-ray Absorption Fine Structure (EXAFS) technique. Most importantly, the specific local disorder of the two distinctive Sb ions has been crosschecked monitoring their unusual Debye–Waller factors.
publishDate 2020
dc.date.none.fl_str_mv 2020-12
dc.type.none.fl_str_mv info:eu-repo/semantics/article
info:eu-repo/semantics/publishedVersion
http://purl.org/coar/resource_type/c_6501
info:ar-repo/semantics/articulo
format article
status_str publishedVersion
dc.identifier.none.fl_str_mv http://hdl.handle.net/11336/129855
Mayer, Sergio Federico; Rodrigues, Joao Elias; Marini, C.; Fernández-Díaz, M.T.; Falcón, H.; et al.; A comprehensive examination of the local- and long-range structure of Sb6O13 pyrochlore oxide; Nature Research; Scientific Reports; 10; 1; 12-2020; 1-14
2045-2322
CONICET Digital
CONICET
url http://hdl.handle.net/11336/129855
identifier_str_mv Mayer, Sergio Federico; Rodrigues, Joao Elias; Marini, C.; Fernández-Díaz, M.T.; Falcón, H.; et al.; A comprehensive examination of the local- and long-range structure of Sb6O13 pyrochlore oxide; Nature Research; Scientific Reports; 10; 1; 12-2020; 1-14
2045-2322
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1038/s41598-020-73860-0
info:eu-repo/semantics/altIdentifier/url/https://www.nature.com/articles/s41598-020-73860-0
dc.rights.none.fl_str_mv info:eu-repo/semantics/openAccess
https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
eu_rights_str_mv openAccess
rights_invalid_str_mv https://creativecommons.org/licenses/by-nc-sa/2.5/ar/
dc.format.none.fl_str_mv application/pdf
application/pdf
application/pdf
dc.publisher.none.fl_str_mv Nature Research
publisher.none.fl_str_mv Nature Research
dc.source.none.fl_str_mv reponame:CONICET Digital (CONICET)
instname:Consejo Nacional de Investigaciones Científicas y Técnicas
reponame_str CONICET Digital (CONICET)
collection CONICET Digital (CONICET)
instname_str Consejo Nacional de Investigaciones Científicas y Técnicas
repository.name.fl_str_mv CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicas
repository.mail.fl_str_mv dasensio@conicet.gov.ar; lcarlino@conicet.gov.ar
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score 13.221938

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