Crystal structure and high-temperature properties of the Ruddlesden–Popper phases Sr{sub 3−x}Y{sub x}(Fe{sub 1.25}Ni{sub 0.75})O{sub 7−δ} (0≤x≤0.75)

Samain, Louise; Amshoff, Philipp; Biendicho, Jordi J.; Tietz, Frank; Mahmoud, Abdelfattah; Hermann, Raphaël P.; Istomin, Sergey Ya.; Grins, Jekabs; Svensson, Gunnar

doi:10.1016/J.JSSC.2015.03.018

Title: Crystal structure and high-temperature properties of the Ruddlesden–Popper phases Sr{sub 3−x}Y{sub x}(Fe{sub 1.25}Ni{sub 0.75})O{sub 7−δ} (0≤x≤0.75)

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Abstract

Ruddlesden–Popper n=2 member phases Sr{sub 3−x}Y{sub x}Fe{sub 1.25}Ni{sub 0.75}O{sub 7−δ}, 0≤x≤0.75, have been investigated by X-ray and neutron powder diffraction, thermogravimetry and Mössbauer spectroscopy. Both samples as-prepared at 1300 °C under N{sub 2}(g) flow and samples subsequently air-annealed at 900 °C were studied. The as-prepared x=0.75 phase is highly oxygen deficient with δ=1, the O1 atom site being vacant, and the Fe{sup 3+}/Ni{sup 2+} ions having a square pyramidal coordination. For as-prepared phases with lower x values, the Mössbauer spectral data are in good agreement with the presence of both 5- and 4-coordinated Fe{sup 3+} ions, implying in addition a partial occupancy of the O3 atom sites that form the basal plane of the square pyramid. The air-annealed x=0.75 sample has a δ value of 0.61(1) and the structure has Fe/Ni ions in both square pyramids and octahedra. Mössbauer spectroscopy shows the phase to contain only Fe{sup 3+}, implying that all Ni is present as Ni{sup 3+}. Air-annealed phases with lower x values are found to contain both Fe{sup 3+} and Fe{sup 4+}. For both the as-prepared and the air-annealed samples, the Y{sup 3+} cations are found to be mainly located in the perovskite block. The high-temperature thermal expansion ofmore »« less

Authors:

Samain, Louise; Amshoff, Philipp ^[1]; Biendicho, Jordi J. ^[1]; Tietz, Frank ^[2]; Mahmoud, Abdelfattah ^[3]; Hermann, Raphaël P. ^[3]; Istomin, Sergey Ya. ^[1]; Grins, Jekabs ^[1]; Svensson, Gunnar ^[1]

Department of Materials and Environmental Chemistry, Stockholm University, S-106 91 Stockholm (Sweden)
Institute of Energy and Climate Research, IEK-1, Forschungszentrum Jülich GmbH, D-52425 Jülich (Germany)
Jülich Centre for Neutron Science JCNS and Peter Grünberg Institut PGI, JARA-FIT, Forschungszentrum Jülich GmbH, D-52425 Jülich (Germany)

Publication Date:: Wed Jul 15 00:00:00 EDT 2015

OSTI Identifier:: 22475679

Resource Type:: Journal Article

Journal Name:: Journal of Solid State Chemistry

Additional Journal Information:: Journal Volume: 227; Other Information: Copyright (c) 2015 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; ABSORPTION SPECTROSCOPY; ANNEALING; CATIONS; CONCENTRATION RATIO; CRYSTAL STRUCTURE; DILATOMETRY; ELECTRIC CONDUCTIVITY; IRON COMPOUNDS; IRON IONS; MOESSBAUER EFFECT; NEUTRON DIFFRACTION; NICKEL IONS; NICKELATES; STRONTIUM COMPOUNDS; SYNTHESIS; THERMAL EXPANSION; THERMAL GRAVIMETRIC ANALYSIS; X-RAY DIFFRACTION; YTTRIUM COMPOUNDS; YTTRIUM IONS

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                    Samain, Louise, Amshoff, Philipp, Biendicho, Jordi J., The ISIS Facility, STFC Rutherford Appleton Laboratory, Didcot OX11 0QX, Oxfordshire, Tietz, Frank, Mahmoud, Abdelfattah, Hermann, Raphaël P., Faculty of Science, University of Liège, B-4000 Liège, Istomin, Sergey Ya., Department of Chemistry, M.V. Lomonosov Moscow State University, 119991 Moscow, Grins, Jekabs, and Svensson, Gunnar. Crystal structure and high-temperature properties of the Ruddlesden–Popper phases Sr{sub 3−x}Y{sub x}(Fe{sub 1.25}Ni{sub 0.75})O{sub 7−δ} (0≤x≤0.75).  United States: N. p., 2015. 
        Web.  doi:10.1016/J.JSSC.2015.03.018.

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                    Samain, Louise, Amshoff, Philipp, Biendicho, Jordi J., The ISIS Facility, STFC Rutherford Appleton Laboratory, Didcot OX11 0QX, Oxfordshire, Tietz, Frank, Mahmoud, Abdelfattah, Hermann, Raphaël P., Faculty of Science, University of Liège, B-4000 Liège, Istomin, Sergey Ya., Department of Chemistry, M.V. Lomonosov Moscow State University, 119991 Moscow, Grins, Jekabs, & Svensson, Gunnar. Crystal structure and high-temperature properties of the Ruddlesden–Popper phases Sr{sub 3−x}Y{sub x}(Fe{sub 1.25}Ni{sub 0.75})O{sub 7−δ} (0≤x≤0.75).  United States.  https://doi.org/10.1016/J.JSSC.2015.03.018

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                    Samain, Louise, Amshoff, Philipp, Biendicho, Jordi J., The ISIS Facility, STFC Rutherford Appleton Laboratory, Didcot OX11 0QX, Oxfordshire, Tietz, Frank, Mahmoud, Abdelfattah, Hermann, Raphaël P., Faculty of Science, University of Liège, B-4000 Liège, Istomin, Sergey Ya., Department of Chemistry, M.V. Lomonosov Moscow State University, 119991 Moscow, Grins, Jekabs, and Svensson, Gunnar. 2015.  
        "Crystal structure and high-temperature properties of the Ruddlesden–Popper phases Sr{sub 3−x}Y{sub x}(Fe{sub 1.25}Ni{sub 0.75})O{sub 7−δ} (0≤x≤0.75)".  United States.  https://doi.org/10.1016/J.JSSC.2015.03.018.

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@article{osti_22475679,

  title        = {Crystal structure and high-temperature properties of the Ruddlesden–Popper phases Sr{sub 3−x}Y{sub x}(Fe{sub 1.25}Ni{sub 0.75})O{sub 7−δ} (0≤x≤0.75)},

  author       = {Samain, Louise and Amshoff, Philipp and Biendicho, Jordi J. and The ISIS Facility, STFC Rutherford Appleton Laboratory, Didcot OX11 0QX, Oxfordshire and Tietz, Frank and Mahmoud, Abdelfattah and Hermann, Raphaël P. and Faculty of Science, University of Liège, B-4000 Liège and Istomin, Sergey Ya. and Department of Chemistry, M.V. Lomonosov Moscow State University, 119991 Moscow and Grins, Jekabs and Svensson, Gunnar},

  abstractNote = {Ruddlesden–Popper n=2 member phases Sr{sub 3−x}Y{sub x}Fe{sub 1.25}Ni{sub 0.75}O{sub 7−δ}, 0≤x≤0.75, have been investigated by X-ray and neutron powder diffraction, thermogravimetry and Mössbauer spectroscopy. Both samples as-prepared at 1300 °C under N{sub 2}(g) flow and samples subsequently air-annealed at 900 °C were studied. The as-prepared x=0.75 phase is highly oxygen deficient with δ=1, the O1 atom site being vacant, and the Fe{sup 3+}/Ni{sup 2+} ions having a square pyramidal coordination. For as-prepared phases with lower x values, the Mössbauer spectral data are in good agreement with the presence of both 5- and 4-coordinated Fe{sup 3+} ions, implying in addition a partial occupancy of the O3 atom sites that form the basal plane of the square pyramid. The air-annealed x=0.75 sample has a δ value of 0.61(1) and the structure has Fe/Ni ions in both square pyramids and octahedra. Mössbauer spectroscopy shows the phase to contain only Fe{sup 3+}, implying that all Ni is present as Ni{sup 3+}. Air-annealed phases with lower x values are found to contain both Fe{sup 3+} and Fe{sup 4+}. For both the as-prepared and the air-annealed samples, the Y{sup 3+} cations are found to be mainly located in the perovskite block. The high-temperature thermal expansion of as-prepared and air-annealed x=0.75 phases were investigated by high-temperature X-ray diffraction and dilatometry and the linear thermal expansion coefficient determined to be 14.4 ppm K{sup −1}. Electrical conductivity measurements showed that the air-annealed samples have higher conductivity than the as-prepared ones. - Highlights: • Ruddlesden–Popper, n=2, Sr{sub 3−x}Y{sub x}Fe{sub 1.25}Ni{sub 0.75}O{sub 7−δ}, 0≤x≤0.75, have been synthesised. • The crystal structures of the phases have been determined. • Sr{sub 2.25}Y{sub 0.75}Fe{sub 1.25}Ni{sub 0.75}O{sub 6}, made in N{sub 2}(g) has Fe{sup 3+}/Ni{sup 2+} in square pyramides. • Sr{sub 2.25}Y{sub 0.75}Fe{sub 1.25}Ni{sub 0.75}O{sub 6.4}, made in air has Fe{sup 3+}/Ni{sup 3+} in square pyramides and octahedra. • Air annealed samples have higher electrical conductivity than N{sub 2}(g) annealed.},

  doi          = {10.1016/J.JSSC.2015.03.018},

  url          = {https://www.osti.gov/biblio/22475679},
  journal      = {Journal of Solid State Chemistry},

  issn         = {0022-4596},

  number       = ,

  volume       = 227,

  place        = {United States},

  year         = {Wed Jul 15 00:00:00 EDT 2015},

  month        = {Wed Jul 15 00:00:00 EDT 2015}

}

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