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Title: In situ X-ray and neutron diffraction of the Ruddlesden–Popper compounds (RE 2–xSr x)₀.₉₈(Fe₀.₈Co₀.₂) 1–yMg yO 4–δ (RE=La, Pr): Structure and CO₂ stability

Abstract

The crystal structure of the Ruddlesden–Popper compounds (La₁.₀Sr₁.₀)₀.₈Fe₁.₀Co₀.₂O 4–δ and (La₁.₂Sr₀.₈)₀.₉₈(Fe₀.₈Co₀.₂)₀.₈Mg₀.₂O 4–δ was investigated at 1000 °C in N₂ (a O₂=1×10₋₄ by in-situ powder neutron diffraction. In-situ powder X-ray diffraction (PXD) was also employed to investigate the temperature dependence of the lattice parameters of the compounds in air and the oxygen activity dependence of the lattice parameters at 800 °C and 1000 °C. The thermal and chemical expansion coefficients, determined along the two crystallographic directions of the tetragonal unit cell, are highly anisotropic. The equivalent pseudo-cubic thermal and chemical expansion coefficients are in agreement with values determined by dilatometry. The chemical stability in CO₂ containing environments of various Ruddlesden–Popper compounds with chemical formula (RE 2-xSr x)₀.₉₈(Fe₀.₈Co₀.₂) 1-yMg yO 4–δ (RE=La, Pr), as well as their stability limit in H₂/H₂O=4.5 were also determined by in-situ PXD for x=0.9, 1.0 and y=0, 0.2. - Graphical abstract: Influence of electronic configuration on bond length, lattice parameters and anisotropic thermal and chemical expansion. Highlights: • The thermal and chemical expansion coefficients are largely anisotropic. • The expansion of the perovskite layers is constrained along the a direction. • The studied compositions show remarkable thermodynamic stability upon reduction. • The thermal and chemical expansion coefficientsmore » are lower than related perovskites. • The investigated materials decompose in CO₂ containing atmospheres.« less

Authors:
 [1];  [2]
  1. Institute for Energy Technology, P.O. Box 40, Kjeller NO-2027 (Norway)
  2. Department of Energy Conversion and Storage, Technical University of Denmark, Frederiksborgvej 399, DK-4000 Roskilde (Denmark)
Publication Date:
OSTI Identifier:
22306281
Resource Type:
Journal Article
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 201; Other Information: Copyright (c) 2013 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0022-4596
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CARBON DIOXIDE; CRYSTAL STRUCTURE; DILATOMETRY; ELECTRONIC STRUCTURE; LATTICE PARAMETERS; NEUTRON DIFFRACTION; PEROVSKITE; STABILITY; TEMPERATURE DEPENDENCE; THERMAL EXPANSION; X-RAY DIFFRACTION

Citation Formats

Chatzichristodoulou, C., E-mail: ccha@dtu.dk, Hauback, B. C., and Hendriksen, P. V. In situ X-ray and neutron diffraction of the Ruddlesden–Popper compounds (RE2–xSrx)₀.₉₈(Fe₀.₈Co₀.₂)1–yMgyO4–δ (RE=La, Pr): Structure and CO₂ stability. United States: N. p., 2013. Web. doi:10.1016/J.JSSC.2013.02.014.
Chatzichristodoulou, C., E-mail: ccha@dtu.dk, Hauback, B. C., & Hendriksen, P. V. In situ X-ray and neutron diffraction of the Ruddlesden–Popper compounds (RE2–xSrx)₀.₉₈(Fe₀.₈Co₀.₂)1–yMgyO4–δ (RE=La, Pr): Structure and CO₂ stability. United States. doi:10.1016/J.JSSC.2013.02.014.
Chatzichristodoulou, C., E-mail: ccha@dtu.dk, Hauback, B. C., and Hendriksen, P. V. Wed . "In situ X-ray and neutron diffraction of the Ruddlesden–Popper compounds (RE2–xSrx)₀.₉₈(Fe₀.₈Co₀.₂)1–yMgyO4–δ (RE=La, Pr): Structure and CO₂ stability". United States. doi:10.1016/J.JSSC.2013.02.014.
@article{osti_22306281,
title = {In situ X-ray and neutron diffraction of the Ruddlesden–Popper compounds (RE2–xSrx)₀.₉₈(Fe₀.₈Co₀.₂)1–yMgyO4–δ (RE=La, Pr): Structure and CO₂ stability},
author = {Chatzichristodoulou, C., E-mail: ccha@dtu.dk and Hauback, B. C. and Hendriksen, P. V.},
abstractNote = {The crystal structure of the Ruddlesden–Popper compounds (La₁.₀Sr₁.₀)₀.₈Fe₁.₀Co₀.₂O4–δ and (La₁.₂Sr₀.₈)₀.₉₈(Fe₀.₈Co₀.₂)₀.₈Mg₀.₂O4–δ was investigated at 1000 °C in N₂ (aO₂=1×10₋₄ by in-situ powder neutron diffraction. In-situ powder X-ray diffraction (PXD) was also employed to investigate the temperature dependence of the lattice parameters of the compounds in air and the oxygen activity dependence of the lattice parameters at 800 °C and 1000 °C. The thermal and chemical expansion coefficients, determined along the two crystallographic directions of the tetragonal unit cell, are highly anisotropic. The equivalent pseudo-cubic thermal and chemical expansion coefficients are in agreement with values determined by dilatometry. The chemical stability in CO₂ containing environments of various Ruddlesden–Popper compounds with chemical formula (RE2-xSrx)₀.₉₈(Fe₀.₈Co₀.₂)1-yMgyO4–δ (RE=La, Pr), as well as their stability limit in H₂/H₂O=4.5 were also determined by in-situ PXD for x=0.9, 1.0 and y=0, 0.2. - Graphical abstract: Influence of electronic configuration on bond length, lattice parameters and anisotropic thermal and chemical expansion. Highlights: • The thermal and chemical expansion coefficients are largely anisotropic. • The expansion of the perovskite layers is constrained along the a direction. • The studied compositions show remarkable thermodynamic stability upon reduction. • The thermal and chemical expansion coefficients are lower than related perovskites. • The investigated materials decompose in CO₂ containing atmospheres.},
doi = {10.1016/J.JSSC.2013.02.014},
journal = {Journal of Solid State Chemistry},
issn = {0022-4596},
number = ,
volume = 201,
place = {United States},
year = {2013},
month = {5}
}