Study of the Crystal Chemistry of the n = 2 Ruddlesden−Popper Phases Sr3FeMO6+δ (M = Fe, Co, and Ni) Using in Situ High Temperature Neutron Powder Diffraction

Autores
Mogni, Liliana Verónica; Prado, Fernando Daniel; Cuello, Gabriel Julio; Caneiro, Alberto
Año de publicación
2009
Idioma
inglés
Tipo de recurso
artículo
Estado
versión publicada
Descripción
Effects of the substitution of Fe by Co or Ni on the crystal structure of the n = 2 Ruddlesden-Popper phase Sr3Fe2O 6+ δ have been studied by in situ high temperature neutron powder diffraction (NPD) in the temperature range 20 °C ≤ T ≤ 900°C. The analysis of neutron diffraction data confirmed that for a given temperature the oxygen non-stoichiometry increases when Fe is replaced by Co or Ni. Oxygen vacancies were detected at the crystal sites O(1), connecting the octahedra along the oaxis, and O(3) in the FeO2 planes of the perovskite layers. The substitution of Fe by Co or Ni increases the oxygen vacancy concentration at the O(3) crystal site, which were detected even when the total oxygen content was higher than 6.00. This result supports a diffusion mechanism involving the migration of oxide ions from the O(3) site to its adjacent empty O(1) sites and vice versa. The average linear expansion αave≈ 1/3 αvol calculated from NPD data increases with the substitution of Fe by Co or Ni (19.9,25.1, and 22.7 × 10-6K-1for M = Fe, Co and Ni, respectively). The expansion along the c-axis(αc) affects mainly the perovskite block while the width of the rock-salt block remains constant. The crystal structure expansion is discussed considering the thermal and chemical contributions, along with the effect of the increasing delocalization of charge carriers when Fe is renlaced with Co or Ni.
Fil: Mogni, Liliana Verónica. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Prado, Fernando Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Cuello, Gabriel Julio. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Institut Laue Langevin; Francia. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Caneiro, Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Materia
Oxidos Conductores Mixtos
Fases de Ruddlesden Popper
Cátodo de Sofc
Neutrones
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:11336/69938
Acceder
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oai_identifier_str oai:ri.conicet.gov.ar:11336/69938
network_acronym_str CONICETDig
repository_id_str 3498
network_name_str CONICET Digital (CONICET)
spelling Study of the Crystal Chemistry of the n = 2 Ruddlesden−Popper Phases Sr3FeMO6+δ (M = Fe, Co, and Ni) Using in Situ High Temperature Neutron Powder DiffractionMogni, Liliana VerónicaPrado, Fernando DanielCuello, Gabriel JulioCaneiro, AlbertoOxidos Conductores MixtosFases de Ruddlesden PopperCátodo de SofcNeutroneshttps://purl.org/becyt/ford/1.4https://purl.org/becyt/ford/1Effects of the substitution of Fe by Co or Ni on the crystal structure of the n = 2 Ruddlesden-Popper phase Sr3Fe2O 6+ δ have been studied by in situ high temperature neutron powder diffraction (NPD) in the temperature range 20 °C ≤ T ≤ 900°C. The analysis of neutron diffraction data confirmed that for a given temperature the oxygen non-stoichiometry increases when Fe is replaced by Co or Ni. Oxygen vacancies were detected at the crystal sites O(1), connecting the octahedra along the oaxis, and O(3) in the FeO2 planes of the perovskite layers. The substitution of Fe by Co or Ni increases the oxygen vacancy concentration at the O(3) crystal site, which were detected even when the total oxygen content was higher than 6.00. This result supports a diffusion mechanism involving the migration of oxide ions from the O(3) site to its adjacent empty O(1) sites and vice versa. The average linear expansion αave≈ 1/3 αvol calculated from NPD data increases with the substitution of Fe by Co or Ni (19.9,25.1, and 22.7 × 10-6K-1for M = Fe, Co and Ni, respectively). The expansion along the c-axis(αc) affects mainly the perovskite block while the width of the rock-salt block remains constant. The crystal structure expansion is discussed considering the thermal and chemical contributions, along with the effect of the increasing delocalization of charge carriers when Fe is renlaced with Co or Ni.Fil: Mogni, Liliana Verónica. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; ArgentinaFil: Prado, Fernando Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; ArgentinaFil: Cuello, Gabriel Julio. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Institut Laue Langevin; Francia. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; ArgentinaFil: Caneiro, Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; ArgentinaAmerican Chemical Society2009-07-21info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionhttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfapplication/pdfapplication/pdfapplication/pdfhttp://hdl.handle.net/11336/69938Mogni, Liliana Verónica; Prado, Fernando Daniel; Cuello, Gabriel Julio; Caneiro, Alberto; Study of the Crystal Chemistry of the n = 2 Ruddlesden−Popper Phases Sr3FeMO6+δ (M = Fe, Co, and Ni) Using in Situ High Temperature Neutron Powder Diffraction; American Chemical Society; Chemistry Of Materials; 21; 13; 21-7-2009; 2614-26230897-4756CONICET DigitalCONICETenginfo:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/cm900643einfo:eu-repo/semantics/altIdentifier/doi/10.1021/cm900643einfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by-nc-sa/2.5/ar/reponame:CONICET Digital (CONICET)instname:Consejo Nacional de Investigaciones Científicas y Técnicas2025-10-22T11:52:21Zoai:ri.conicet.gov.ar:11336/69938instacron: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:34982025-10-22 11:52:22.152CONICET Digital (CONICET) - Consejo Nacional de Investigaciones Científicas y Técnicasfalse
dc.title.none.fl_str_mv Study of the Crystal Chemistry of the n = 2 Ruddlesden−Popper Phases Sr3FeMO6+δ (M = Fe, Co, and Ni) Using in Situ High Temperature Neutron Powder Diffraction
title Study of the Crystal Chemistry of the n = 2 Ruddlesden−Popper Phases Sr3FeMO6+δ (M = Fe, Co, and Ni) Using in Situ High Temperature Neutron Powder Diffraction
spellingShingle Study of the Crystal Chemistry of the n = 2 Ruddlesden−Popper Phases Sr3FeMO6+δ (M = Fe, Co, and Ni) Using in Situ High Temperature Neutron Powder Diffraction
Mogni, Liliana Verónica
Oxidos Conductores Mixtos
Fases de Ruddlesden Popper
Cátodo de Sofc
Neutrones
title_short Study of the Crystal Chemistry of the n = 2 Ruddlesden−Popper Phases Sr3FeMO6+δ (M = Fe, Co, and Ni) Using in Situ High Temperature Neutron Powder Diffraction
title_full Study of the Crystal Chemistry of the n = 2 Ruddlesden−Popper Phases Sr3FeMO6+δ (M = Fe, Co, and Ni) Using in Situ High Temperature Neutron Powder Diffraction
title_fullStr Study of the Crystal Chemistry of the n = 2 Ruddlesden−Popper Phases Sr3FeMO6+δ (M = Fe, Co, and Ni) Using in Situ High Temperature Neutron Powder Diffraction
title_full_unstemmed Study of the Crystal Chemistry of the n = 2 Ruddlesden−Popper Phases Sr3FeMO6+δ (M = Fe, Co, and Ni) Using in Situ High Temperature Neutron Powder Diffraction
title_sort Study of the Crystal Chemistry of the n = 2 Ruddlesden−Popper Phases Sr3FeMO6+δ (M = Fe, Co, and Ni) Using in Situ High Temperature Neutron Powder Diffraction
dc.creator.none.fl_str_mv Mogni, Liliana Verónica
Prado, Fernando Daniel
Cuello, Gabriel Julio
Caneiro, Alberto
author Mogni, Liliana Verónica
author_facet Mogni, Liliana Verónica
Prado, Fernando Daniel
Cuello, Gabriel Julio
Caneiro, Alberto
author_role author
author2 Prado, Fernando Daniel
Cuello, Gabriel Julio
Caneiro, Alberto
author2_role author
author
author
dc.subject.none.fl_str_mv Oxidos Conductores Mixtos
Fases de Ruddlesden Popper
Cátodo de Sofc
Neutrones
topic Oxidos Conductores Mixtos
Fases de Ruddlesden Popper
Cátodo de Sofc
Neutrones
purl_subject.fl_str_mv https://purl.org/becyt/ford/1.4
https://purl.org/becyt/ford/1
dc.description.none.fl_txt_mv Effects of the substitution of Fe by Co or Ni on the crystal structure of the n = 2 Ruddlesden-Popper phase Sr3Fe2O 6+ δ have been studied by in situ high temperature neutron powder diffraction (NPD) in the temperature range 20 °C ≤ T ≤ 900°C. The analysis of neutron diffraction data confirmed that for a given temperature the oxygen non-stoichiometry increases when Fe is replaced by Co or Ni. Oxygen vacancies were detected at the crystal sites O(1), connecting the octahedra along the oaxis, and O(3) in the FeO2 planes of the perovskite layers. The substitution of Fe by Co or Ni increases the oxygen vacancy concentration at the O(3) crystal site, which were detected even when the total oxygen content was higher than 6.00. This result supports a diffusion mechanism involving the migration of oxide ions from the O(3) site to its adjacent empty O(1) sites and vice versa. The average linear expansion αave≈ 1/3 αvol calculated from NPD data increases with the substitution of Fe by Co or Ni (19.9,25.1, and 22.7 × 10-6K-1for M = Fe, Co and Ni, respectively). The expansion along the c-axis(αc) affects mainly the perovskite block while the width of the rock-salt block remains constant. The crystal structure expansion is discussed considering the thermal and chemical contributions, along with the effect of the increasing delocalization of charge carriers when Fe is renlaced with Co or Ni.
Fil: Mogni, Liliana Verónica. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Prado, Fernando Daniel. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - Bahía Blanca. Instituto de Física del Sur. Universidad Nacional del Sur. Departamento de Física. Instituto de Física del Sur; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Cuello, Gabriel Julio. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Institut Laue Langevin; Francia. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
Fil: Caneiro, Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas; Argentina. Comisión Nacional de Energía Atómica. Centro Atómico Bariloche; Argentina
description Effects of the substitution of Fe by Co or Ni on the crystal structure of the n = 2 Ruddlesden-Popper phase Sr3Fe2O 6+ δ have been studied by in situ high temperature neutron powder diffraction (NPD) in the temperature range 20 °C ≤ T ≤ 900°C. The analysis of neutron diffraction data confirmed that for a given temperature the oxygen non-stoichiometry increases when Fe is replaced by Co or Ni. Oxygen vacancies were detected at the crystal sites O(1), connecting the octahedra along the oaxis, and O(3) in the FeO2 planes of the perovskite layers. The substitution of Fe by Co or Ni increases the oxygen vacancy concentration at the O(3) crystal site, which were detected even when the total oxygen content was higher than 6.00. This result supports a diffusion mechanism involving the migration of oxide ions from the O(3) site to its adjacent empty O(1) sites and vice versa. The average linear expansion αave≈ 1/3 αvol calculated from NPD data increases with the substitution of Fe by Co or Ni (19.9,25.1, and 22.7 × 10-6K-1for M = Fe, Co and Ni, respectively). The expansion along the c-axis(αc) affects mainly the perovskite block while the width of the rock-salt block remains constant. The crystal structure expansion is discussed considering the thermal and chemical contributions, along with the effect of the increasing delocalization of charge carriers when Fe is renlaced with Co or Ni.
publishDate 2009
dc.date.none.fl_str_mv 2009-07-21
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/11336/69938
Mogni, Liliana Verónica; Prado, Fernando Daniel; Cuello, Gabriel Julio; Caneiro, Alberto; Study of the Crystal Chemistry of the n = 2 Ruddlesden−Popper Phases Sr3FeMO6+δ (M = Fe, Co, and Ni) Using in Situ High Temperature Neutron Powder Diffraction; American Chemical Society; Chemistry Of Materials; 21; 13; 21-7-2009; 2614-2623
0897-4756
CONICET Digital
CONICET
url http://hdl.handle.net/11336/69938
identifier_str_mv Mogni, Liliana Verónica; Prado, Fernando Daniel; Cuello, Gabriel Julio; Caneiro, Alberto; Study of the Crystal Chemistry of the n = 2 Ruddlesden−Popper Phases Sr3FeMO6+δ (M = Fe, Co, and Ni) Using in Situ High Temperature Neutron Powder Diffraction; American Chemical Society; Chemistry Of Materials; 21; 13; 21-7-2009; 2614-2623
0897-4756
CONICET Digital
CONICET
dc.language.none.fl_str_mv eng
language eng
dc.relation.none.fl_str_mv info:eu-repo/semantics/altIdentifier/url/https://pubs.acs.org/doi/10.1021/cm900643e
info:eu-repo/semantics/altIdentifier/doi/10.1021/cm900643e
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
application/pdf
dc.publisher.none.fl_str_mv American Chemical Society
publisher.none.fl_str_mv American Chemical Society
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 12.982451

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