Phase stability and oxygen non-stoichiometry of SrCo0.8Fe0.2O3-d measured by in-situ neutron diffraction

Steven McIntosh, Jaap F. Vente, Wim G. Haije, Dave H.A. Blank, Henny J.M. Bouwmeester

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Abstract

The phase stability, oxygen stoichiometry and expansion properties of SrCo0.8Fe0.2O3−δ (SCF) were determined by in situ neutron diffraction between 873 and 1173 K and oxygen partial pressures of 5×10−4 to 1 atm. At a pO2 of 1 atm, SCF adopts a cubic perovskite structure, space group Pm3¯m, across the whole temperature range investigated. At a pO2 of 10−1 atm, a two-phase region exists below 922 K, where the cubic perovskite phase coexists with a vacancy ordered brownmillerite phase, Sr2Co1.6Fe0.4O5, space group Icmm. A pure brownmillerite phase is present at pO2 of 10−2 and 5×10−4 atm below 1020 K. Above 1020 K, the brownmillerite phase transforms to cubic perovskite through a twophase region with no brownmillerite structure observed above 1064 K. Large distortion of the BO6 (B=Co, Fe) octahedra is present in the brownmillerite structure with apical bond lengths of 2.2974(4)Å and equatorial bond lengths of 1.9737(3) Å at 1021 K and a pO2 of 10−2 atm. SCF is highly oxygen deficient with a maximum oxygen stoichiometry, 3−δ, measured in this study of 2.58(2) at 873 K and a pO2 of 1 atm and a minimum of 2.33(2) at 1173 K and a pO2 of 5×10−4 atm. Significant differences in lattice volume and expansion behavior between the brownmillerite and cubic perovskite phases suggest potential difficulties in thermal cycling of SrCo0.8Fe0.2O3−δ membranes
Original languageEnglish
Pages (from-to)833-842
Number of pages10
JournalSolid state ionics
Volume177
Issue number9-10
DOIs
Publication statusPublished - 2006

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Phase stability
Neutron diffraction
neutron diffraction
Perovskite
Oxygen
Bond length
oxygen
Stoichiometry
stoichiometry
expansion
Thermal cycling
Partial pressure
Vacancies
partial pressure
Neutrons
membranes
Membranes
neutrons
cycles
perovskite

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@article{5e67e4dc851b4beb95d609e145243dcd,
title = "Phase stability and oxygen non-stoichiometry of SrCo0.8Fe0.2O3-d measured by in-situ neutron diffraction",
abstract = "The phase stability, oxygen stoichiometry and expansion properties of SrCo0.8Fe0.2O3−δ (SCF) were determined by in situ neutron diffraction between 873 and 1173 K and oxygen partial pressures of 5×10−4 to 1 atm. At a pO2 of 1 atm, SCF adopts a cubic perovskite structure, space group Pm3¯m, across the whole temperature range investigated. At a pO2 of 10−1 atm, a two-phase region exists below 922 K, where the cubic perovskite phase coexists with a vacancy ordered brownmillerite phase, Sr2Co1.6Fe0.4O5, space group Icmm. A pure brownmillerite phase is present at pO2 of 10−2 and 5×10−4 atm below 1020 K. Above 1020 K, the brownmillerite phase transforms to cubic perovskite through a twophase region with no brownmillerite structure observed above 1064 K. Large distortion of the BO6 (B=Co, Fe) octahedra is present in the brownmillerite structure with apical bond lengths of 2.2974(4){\AA} and equatorial bond lengths of 1.9737(3) {\AA} at 1021 K and a pO2 of 10−2 atm. SCF is highly oxygen deficient with a maximum oxygen stoichiometry, 3−δ, measured in this study of 2.58(2) at 873 K and a pO2 of 1 atm and a minimum of 2.33(2) at 1173 K and a pO2 of 5×10−4 atm. Significant differences in lattice volume and expansion behavior between the brownmillerite and cubic perovskite phases suggest potential difficulties in thermal cycling of SrCo0.8Fe0.2O3−δ membranes",
author = "Steven McIntosh and Vente, {Jaap F.} and Haije, {Wim G.} and Blank, {Dave H.A.} and Bouwmeester, {Henny J.M.}",
year = "2006",
doi = "10.1016/j.ssi.2006.02.017",
language = "English",
volume = "177",
pages = "833--842",
journal = "Solid state ionics",
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publisher = "Elsevier",
number = "9-10",

}

Phase stability and oxygen non-stoichiometry of SrCo0.8Fe0.2O3-d measured by in-situ neutron diffraction. / McIntosh, Steven; Vente, Jaap F.; Haije, Wim G.; Blank, Dave H.A.; Bouwmeester, Henny J.M.

In: Solid state ionics, Vol. 177, No. 9-10, 2006, p. 833-842.

Research output: Contribution to journalArticleAcademicpeer-review

TY - JOUR

T1 - Phase stability and oxygen non-stoichiometry of SrCo0.8Fe0.2O3-d measured by in-situ neutron diffraction

AU - McIntosh, Steven

AU - Vente, Jaap F.

AU - Haije, Wim G.

AU - Blank, Dave H.A.

AU - Bouwmeester, Henny J.M.

PY - 2006

Y1 - 2006

N2 - The phase stability, oxygen stoichiometry and expansion properties of SrCo0.8Fe0.2O3−δ (SCF) were determined by in situ neutron diffraction between 873 and 1173 K and oxygen partial pressures of 5×10−4 to 1 atm. At a pO2 of 1 atm, SCF adopts a cubic perovskite structure, space group Pm3¯m, across the whole temperature range investigated. At a pO2 of 10−1 atm, a two-phase region exists below 922 K, where the cubic perovskite phase coexists with a vacancy ordered brownmillerite phase, Sr2Co1.6Fe0.4O5, space group Icmm. A pure brownmillerite phase is present at pO2 of 10−2 and 5×10−4 atm below 1020 K. Above 1020 K, the brownmillerite phase transforms to cubic perovskite through a twophase region with no brownmillerite structure observed above 1064 K. Large distortion of the BO6 (B=Co, Fe) octahedra is present in the brownmillerite structure with apical bond lengths of 2.2974(4)Å and equatorial bond lengths of 1.9737(3) Å at 1021 K and a pO2 of 10−2 atm. SCF is highly oxygen deficient with a maximum oxygen stoichiometry, 3−δ, measured in this study of 2.58(2) at 873 K and a pO2 of 1 atm and a minimum of 2.33(2) at 1173 K and a pO2 of 5×10−4 atm. Significant differences in lattice volume and expansion behavior between the brownmillerite and cubic perovskite phases suggest potential difficulties in thermal cycling of SrCo0.8Fe0.2O3−δ membranes

AB - The phase stability, oxygen stoichiometry and expansion properties of SrCo0.8Fe0.2O3−δ (SCF) were determined by in situ neutron diffraction between 873 and 1173 K and oxygen partial pressures of 5×10−4 to 1 atm. At a pO2 of 1 atm, SCF adopts a cubic perovskite structure, space group Pm3¯m, across the whole temperature range investigated. At a pO2 of 10−1 atm, a two-phase region exists below 922 K, where the cubic perovskite phase coexists with a vacancy ordered brownmillerite phase, Sr2Co1.6Fe0.4O5, space group Icmm. A pure brownmillerite phase is present at pO2 of 10−2 and 5×10−4 atm below 1020 K. Above 1020 K, the brownmillerite phase transforms to cubic perovskite through a twophase region with no brownmillerite structure observed above 1064 K. Large distortion of the BO6 (B=Co, Fe) octahedra is present in the brownmillerite structure with apical bond lengths of 2.2974(4)Å and equatorial bond lengths of 1.9737(3) Å at 1021 K and a pO2 of 10−2 atm. SCF is highly oxygen deficient with a maximum oxygen stoichiometry, 3−δ, measured in this study of 2.58(2) at 873 K and a pO2 of 1 atm and a minimum of 2.33(2) at 1173 K and a pO2 of 5×10−4 atm. Significant differences in lattice volume and expansion behavior between the brownmillerite and cubic perovskite phases suggest potential difficulties in thermal cycling of SrCo0.8Fe0.2O3−δ membranes

U2 - 10.1016/j.ssi.2006.02.017

DO - 10.1016/j.ssi.2006.02.017

M3 - Article

VL - 177

SP - 833

EP - 842

JO - Solid state ionics

JF - Solid state ionics

SN - 0167-2738

IS - 9-10

ER -