High-temperature dynamic octahedral tilting in the ionic conductor Sr11Mo4O23

Autores
López, Carlos A.; Pedregosa, Jose Carmelo; Fernández Díaz, María T.; Alonso, José A.
Año de publicación
2016
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
This work presents the crystal structure evolution of a novel ionic conductor Sr11Mo4O23 at high temperature. The formula of this phase can be rewritten as Sr1.75□0.25SrMoO5.75, highlighting the relationship with double perovskites A2B′B″O6. The crystal network contains oxygen-anion and strontium-cation vacancies. The structure is complex; Sr, Mo and O atoms are distributed in four, two and six distinct Wyckoff sites, respectively. It was refined from neutron powder diffraction data collected at 473, 673, 873 and 1073 K. The thermal evolution of crystallographic parameters supports the known reversible process of removal/uptake of O-atom content in the 673-873 K temperature range. Above 873 K, from difference Fourier maps, it was found that the structure exhibits an oxygen delocalization around one of the Mo sites. This delocalization was understood as a dynamical octahedral tilt of the MoO6 octahedron, yielding an increase in the ionic conductivity at high temperature.
Fil: López, Carlos A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Investigaciones en Tecnología Química. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Investigaciones en Tecnología Química; Argentina
Fil: Pedregosa, Jose Carmelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Investigaciones en Tecnología Química. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Investigaciones en Tecnología Química; Argentina
Fil: Fernández Díaz, María T.. Institut Laue Langevin; Francia
Fil: Alonso, José A.. Instituto de Ciencia de Materiales de Madrid; España
Materia
Fuel Cells
High-Temperature Structure
Ionic Conductors
Neutron Powder Diffraction
Sr11mo4o23
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:11336/60580
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/60580
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling High-temperature dynamic octahedral tilting in the ionic conductor Sr11Mo4O23López, Carlos A.Pedregosa, Jose CarmeloFernández Díaz, María T.Alonso, José A.Fuel CellsHigh-Temperature StructureIonic ConductorsNeutron Powder DiffractionSr11mo4o23https://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1https://purl.org/becyt/ford/1.3https://purl.org/becyt/ford/1This work presents the crystal structure evolution of a novel ionic conductor Sr11Mo4O23 at high temperature. The formula of this phase can be rewritten as Sr1.75□0.25SrMoO5.75, highlighting the relationship with double perovskites A2B′B″O6. The crystal network contains oxygen-anion and strontium-cation vacancies. The structure is complex; Sr, Mo and O atoms are distributed in four, two and six distinct Wyckoff sites, respectively. It was refined from neutron powder diffraction data collected at 473, 673, 873 and 1073 K. The thermal evolution of crystallographic parameters supports the known reversible process of removal/uptake of O-atom content in the 673-873 K temperature range. Above 873 K, from difference Fourier maps, it was found that the structure exhibits an oxygen delocalization around one of the Mo sites. This delocalization was understood as a dynamical octahedral tilt of the MoO6 octahedron, yielding an increase in the ionic conductivity at high temperature.Fil: López, Carlos A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Investigaciones en Tecnología Química. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Investigaciones en Tecnología Química; ArgentinaFil: Pedregosa, Jose Carmelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Investigaciones en Tecnología Química. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Investigaciones en Tecnología Química; ArgentinaFil: Fernández Díaz, María T.. Institut Laue Langevin; FranciaFil: Alonso, José A.. Instituto de Ciencia de Materiales de Madrid; EspañaInternational Union of Crystallography2016-02info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/60580López, Carlos A.; Pedregosa, Jose Carmelo; Fernández Díaz, María T.; Alonso, José A.; High-temperature dynamic octahedral tilting in the ionic conductor Sr11Mo4O23; International Union of Crystallography; Journal Of Applied Crystallography; 49; 2-2016; 78-840021-8898CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/doi/10.1107/S160057671502261Xinfo:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S160057671502261Xinfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-09-29T09:38:56Zoai:ri.conicet.gov.ar:11336/60580instacron: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:34982025-09-29 09:38:57.116CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv High-temperature dynamic octahedral tilting in the ionic conductor Sr11Mo4O23
title High-temperature dynamic octahedral tilting in the ionic conductor Sr11Mo4O23
spellingShingle High-temperature dynamic octahedral tilting in the ionic conductor Sr11Mo4O23
López, Carlos A.
Fuel Cells
High-Temperature Structure
Ionic Conductors
Neutron Powder Diffraction
Sr11mo4o23
title_short High-temperature dynamic octahedral tilting in the ionic conductor Sr11Mo4O23
title_full High-temperature dynamic octahedral tilting in the ionic conductor Sr11Mo4O23
title_fullStr High-temperature dynamic octahedral tilting in the ionic conductor Sr11Mo4O23
title_full_unstemmed High-temperature dynamic octahedral tilting in the ionic conductor Sr11Mo4O23
title_sort High-temperature dynamic octahedral tilting in the ionic conductor Sr11Mo4O23
dc.creator.none.fl_str_mv López, Carlos A.
Pedregosa, Jose Carmelo
Fernández Díaz, María T.
Alonso, José A.
author López, Carlos A.
author_facet López, Carlos A.
Pedregosa, Jose Carmelo
Fernández Díaz, María T.
Alonso, José A.
author_role author
author2 Pedregosa, Jose Carmelo
Fernández Díaz, María T.
Alonso, José A.
author2_role author
author
author
dc.subject.none.fl_str_mv Fuel Cells
High-Temperature Structure
Ionic Conductors
Neutron Powder Diffraction
Sr11mo4o23
topic Fuel Cells
High-Temperature Structure
Ionic Conductors
Neutron Powder Diffraction
Sr11mo4o23
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
https://purl.org/becyt/ford/1.3
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv This work presents the crystal structure evolution of a novel ionic conductor Sr11Mo4O23 at high temperature. The formula of this phase can be rewritten as Sr1.75□0.25SrMoO5.75, highlighting the relationship with double perovskites A2B′B″O6. The crystal network contains oxygen-anion and strontium-cation vacancies. The structure is complex; Sr, Mo and O atoms are distributed in four, two and six distinct Wyckoff sites, respectively. It was refined from neutron powder diffraction data collected at 473, 673, 873 and 1073 K. The thermal evolution of crystallographic parameters supports the known reversible process of removal/uptake of O-atom content in the 673-873 K temperature range. Above 873 K, from difference Fourier maps, it was found that the structure exhibits an oxygen delocalization around one of the Mo sites. This delocalization was understood as a dynamical octahedral tilt of the MoO6 octahedron, yielding an increase in the ionic conductivity at high temperature.
Fil: López, Carlos A.. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Investigaciones en Tecnología Química. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Investigaciones en Tecnología Química; Argentina
Fil: Pedregosa, Jose Carmelo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Investigaciones en Tecnología Química. Universidad Nacional de San Luis. Facultad de Química, Bioquímica y Farmacia. Instituto de Investigaciones en Tecnología Química; Argentina
Fil: Fernández Díaz, María T.. Institut Laue Langevin; Francia
Fil: Alonso, José A.. Instituto de Ciencia de Materiales de Madrid; España
description This work presents the crystal structure evolution of a novel ionic conductor Sr11Mo4O23 at high temperature. The formula of this phase can be rewritten as Sr1.75□0.25SrMoO5.75, highlighting the relationship with double perovskites A2B′B″O6. The crystal network contains oxygen-anion and strontium-cation vacancies. The structure is complex; Sr, Mo and O atoms are distributed in four, two and six distinct Wyckoff sites, respectively. It was refined from neutron powder diffraction data collected at 473, 673, 873 and 1073 K. The thermal evolution of crystallographic parameters supports the known reversible process of removal/uptake of O-atom content in the 673-873 K temperature range. Above 873 K, from difference Fourier maps, it was found that the structure exhibits an oxygen delocalization around one of the Mo sites. This delocalization was understood as a dynamical octahedral tilt of the MoO6 octahedron, yielding an increase in the ionic conductivity at high temperature.
publishDate 2016
dc.date.none.fl_str_mv 2016-02
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/11336/60580
López, Carlos A.; Pedregosa, Jose Carmelo; Fernández Díaz, María T.; Alonso, José A.; High-temperature dynamic octahedral tilting in the ionic conductor Sr11Mo4O23; International Union of Crystallography; Journal Of Applied Crystallography; 49; 2-2016; 78-84
0021-8898
CONICET Digital
CONICET
url http://hdl.handle.net/11336/60580
identifier_str_mv López, Carlos A.; Pedregosa, Jose Carmelo; Fernández Díaz, María T.; Alonso, José A.; High-temperature dynamic octahedral tilting in the ionic conductor Sr11Mo4O23; International Union of Crystallography; Journal Of Applied Crystallography; 49; 2-2016; 78-84
0021-8898
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/doi/10.1107/S160057671502261X
info:eu-repo/semantics/altIdentifier/url/http://scripts.iucr.org/cgi-bin/paper?S160057671502261X
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
dc.publisher.none.fl_str_mv International Union of Crystallography
publisher.none.fl_str_mv International Union of Crystallography
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 13.070432

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