Potassium disorder in the defect pyrochlore KSbTeO6: A neutron diffraction study

Autores
Alonso, José Antonio; Mayer, Sergio Federico; Falcon, Horacio; Turrillas, Xabier; Fernández Díaz, María Teresa
Año de publicación
2017
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
KSbTeO6 defect pyrochlore has been prepared from K2C2O4, Sb2O3, and 15% excess TeO2 by solid-state reaction at 850 °C. Direct methods implemented in the software EXPO2013 allowed establishing the basic structural framework. This was followed by a combined Rietveld refinement from X-ray powder diffraction (XRD) and neutron powder diffraction (NPD) data, which unveiled additional structural features. KSbTeO6 is cubic, a = 10.1226(7) Å, space group Fd3m, Z = 8 and it is made of a mainly covalent framework of corner-sharing (Sb,Te)O6 octahedra, with weakly bonded K+ ions located within large cages. The large K-O distances, 3.05(3)–3.07(3) Å, and quite large anisotropic atomic displacement parameters account for the easiness of K+ exchange for other cations of technological importance.
Fil: Alonso, José Antonio. Instituto de Ciencia de Materiales de Madrid; España
Fil: Mayer, Sergio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba; Argentina. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación en Nanociencia y Nanotecnología; Argentina
Fil: Falcon, Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba; Argentina. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación en Nanociencia y Nanotecnología; Argentina
Fil: Turrillas, Xabier. ALBA Synchrotron; España. Consejo Superior de Investigaciones Científicas. Instituto de Ciencia de los Materiales de Barcelona; España
Fil: Fernández Díaz, María Teresa. Institut Laue Langevin; Francia
Materia
AB2O6
ASBTEO6
IONIC DIFFUSION
NEUTRON POWDER DIFFRACTION
PYROCHLORES
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:11336/97574
Acceder
id CONICETDig_638c0e6f266b3e3bfb3229577f2715f2
oai_identifier_str oai:ri.conicet.gov.ar:11336/97574
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Potassium disorder in the defect pyrochlore KSbTeO6: A neutron diffraction studyAlonso, José AntonioMayer, Sergio FedericoFalcon, HoracioTurrillas, XabierFernández Díaz, María TeresaAB2O6ASBTEO6IONIC DIFFUSIONNEUTRON POWDER DIFFRACTIONPYROCHLOREShttps://purl.org/becyt/ford/2.5https://purl.org/becyt/ford/2KSbTeO6 defect pyrochlore has been prepared from K2C2O4, Sb2O3, and 15% excess TeO2 by solid-state reaction at 850 °C. Direct methods implemented in the software EXPO2013 allowed establishing the basic structural framework. This was followed by a combined Rietveld refinement from X-ray powder diffraction (XRD) and neutron powder diffraction (NPD) data, which unveiled additional structural features. KSbTeO6 is cubic, a = 10.1226(7) Å, space group Fd3m, Z = 8 and it is made of a mainly covalent framework of corner-sharing (Sb,Te)O6 octahedra, with weakly bonded K+ ions located within large cages. The large K-O distances, 3.05(3)–3.07(3) Å, and quite large anisotropic atomic displacement parameters account for the easiness of K+ exchange for other cations of technological importance.Fil: Alonso, José Antonio. Instituto de Ciencia de Materiales de Madrid; EspañaFil: Mayer, Sergio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba; Argentina. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación en Nanociencia y Nanotecnología; ArgentinaFil: Falcon, Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba; Argentina. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación en Nanociencia y Nanotecnología; ArgentinaFil: Turrillas, Xabier. ALBA Synchrotron; España. Consejo Superior de Investigaciones Científicas. Instituto de Ciencia de los Materiales de Barcelona; EspañaFil: Fernández Díaz, María Teresa. Institut Laue Langevin; FranciaMDPI AG2017-01-13info: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/11336/97574Alonso, José Antonio; Mayer, Sergio Federico; Falcon, Horacio; Turrillas, Xabier; Fernández Díaz, María Teresa; Potassium disorder in the defect pyrochlore KSbTeO6: A neutron diffraction study; MDPI AG; Crystals; 7; 1; 13-1-2017; 1-72073-43522073-4352CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/http://www.mdpi.com/2073-4352/7/1/24info:eu-repo/semantics/altIdentifier/doi/10.3390/cryst7010024info:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-15T15:34:03Zoai:ri.conicet.gov.ar:11336/97574instacron: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 15:34:03.712CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Potassium disorder in the defect pyrochlore KSbTeO6: A neutron diffraction study
title Potassium disorder in the defect pyrochlore KSbTeO6: A neutron diffraction study
spellingShingle Potassium disorder in the defect pyrochlore KSbTeO6: A neutron diffraction study
Alonso, José Antonio
AB2O6
ASBTEO6
IONIC DIFFUSION
NEUTRON POWDER DIFFRACTION
PYROCHLORES
title_short Potassium disorder in the defect pyrochlore KSbTeO6: A neutron diffraction study
title_full Potassium disorder in the defect pyrochlore KSbTeO6: A neutron diffraction study
title_fullStr Potassium disorder in the defect pyrochlore KSbTeO6: A neutron diffraction study
title_full_unstemmed Potassium disorder in the defect pyrochlore KSbTeO6: A neutron diffraction study
title_sort Potassium disorder in the defect pyrochlore KSbTeO6: A neutron diffraction study
dc.creator.none.fl_str_mv Alonso, José Antonio
Mayer, Sergio Federico
Falcon, Horacio
Turrillas, Xabier
Fernández Díaz, María Teresa
author Alonso, José Antonio
author_facet Alonso, José Antonio
Mayer, Sergio Federico
Falcon, Horacio
Turrillas, Xabier
Fernández Díaz, María Teresa
author_role author
author2 Mayer, Sergio Federico
Falcon, Horacio
Turrillas, Xabier
Fernández Díaz, María Teresa
author2_role author
author
author
author
dc.subject.none.fl_str_mv AB2O6
ASBTEO6
IONIC DIFFUSION
NEUTRON POWDER DIFFRACTION
PYROCHLORES
topic AB2O6
ASBTEO6
IONIC DIFFUSION
NEUTRON POWDER DIFFRACTION
PYROCHLORES
purl_subject.fl_str_mv https://purl.org/becyt/ford/2.5
https://purl.org/becyt/ford/2
dc.description.none.fl_txt_mv KSbTeO6 defect pyrochlore has been prepared from K2C2O4, Sb2O3, and 15% excess TeO2 by solid-state reaction at 850 °C. Direct methods implemented in the software EXPO2013 allowed establishing the basic structural framework. This was followed by a combined Rietveld refinement from X-ray powder diffraction (XRD) and neutron powder diffraction (NPD) data, which unveiled additional structural features. KSbTeO6 is cubic, a = 10.1226(7) Å, space group Fd3m, Z = 8 and it is made of a mainly covalent framework of corner-sharing (Sb,Te)O6 octahedra, with weakly bonded K+ ions located within large cages. The large K-O distances, 3.05(3)–3.07(3) Å, and quite large anisotropic atomic displacement parameters account for the easiness of K+ exchange for other cations of technological importance.
Fil: Alonso, José Antonio. Instituto de Ciencia de Materiales de Madrid; España
Fil: Mayer, Sergio Federico. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba; Argentina. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación en Nanociencia y Nanotecnología; Argentina
Fil: Falcon, Horacio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Córdoba; Argentina. Universidad Tecnológica Nacional. Facultad Regional Córdoba. Centro de Investigación en Nanociencia y Nanotecnología; Argentina
Fil: Turrillas, Xabier. ALBA Synchrotron; España. Consejo Superior de Investigaciones Científicas. Instituto de Ciencia de los Materiales de Barcelona; España
Fil: Fernández Díaz, María Teresa. Institut Laue Langevin; Francia
description KSbTeO6 defect pyrochlore has been prepared from K2C2O4, Sb2O3, and 15% excess TeO2 by solid-state reaction at 850 °C. Direct methods implemented in the software EXPO2013 allowed establishing the basic structural framework. This was followed by a combined Rietveld refinement from X-ray powder diffraction (XRD) and neutron powder diffraction (NPD) data, which unveiled additional structural features. KSbTeO6 is cubic, a = 10.1226(7) Å, space group Fd3m, Z = 8 and it is made of a mainly covalent framework of corner-sharing (Sb,Te)O6 octahedra, with weakly bonded K+ ions located within large cages. The large K-O distances, 3.05(3)–3.07(3) Å, and quite large anisotropic atomic displacement parameters account for the easiness of K+ exchange for other cations of technological importance.
publishDate 2017
dc.date.none.fl_str_mv 2017-01-13
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/11336/97574
Alonso, José Antonio; Mayer, Sergio Federico; Falcon, Horacio; Turrillas, Xabier; Fernández Díaz, María Teresa; Potassium disorder in the defect pyrochlore KSbTeO6: A neutron diffraction study; MDPI AG; Crystals; 7; 1; 13-1-2017; 1-7
2073-4352
2073-4352
CONICET Digital
CONICET
url http://hdl.handle.net/11336/97574
identifier_str_mv Alonso, José Antonio; Mayer, Sergio Federico; Falcon, Horacio; Turrillas, Xabier; Fernández Díaz, María Teresa; Potassium disorder in the defect pyrochlore KSbTeO6: A neutron diffraction study; MDPI AG; Crystals; 7; 1; 13-1-2017; 1-7
2073-4352
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/http://www.mdpi.com/2073-4352/7/1/24
info:eu-repo/semantics/altIdentifier/doi/10.3390/cryst7010024
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 MDPI AG
publisher.none.fl_str_mv MDPI AG
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
_version_ 1846083469695778816
score 13.221938

Publicaciones similares