Crystal Structure and Coordination of B-Cations in the Ruddlesden–Popper Phases Sr3-xPrx(Fe1.25Ni0.75)O7-δ(0 ≤ x ≤ 0.4)

Svensson, Gunnar; Samain, Louise; Biendicho, Jordi; Mahmoud, Abdelfattah; Hermann, Raphaël; Istomin, Sergey; Grins, Jekabs

doi:10.3390/inorganics6030089

Title: Crystal Structure and Coordination of B-Cations in the Ruddlesden–Popper Phases Sr_3-xPr_x(Fe_1.25Ni_0.75)O_7-δ(0 ≤ x ≤ 0.4)

Journal Article · Fri Aug 31 00:00:00 EDT 2018 · Inorganics

DOI:https://doi.org/10.3390/inorganics6030089· OSTI ID:1468058

Svensson, Gunnar ^[1]; Samain, Louise ^[2]; Biendicho, Jordi ^[3]; Mahmoud, Abdelfattah ^[4];

^[5]; Istomin, Sergey ^[6]; Grins, Jekabs ^[2]

Stockholm Univ. (Sweden). Department of Materials and Environmental Chemistry
Stockholm Univ. (Sweden). Department of Materials and Environmental Chemistry
Stockholm Univ. (Sweden). Department of Materials and Environmental Chemistry; Catalonia Institute for Energy Research (Spain); STFC Rutherford Appleton Laboratory, Didcot (United Kingdom). The ISIS Facility
Universitè de Liège (Belgium). GREENMAT, Institute of Chemistry B63APTIS, Institute of Physics
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Materials Science and Technology Division
M.V. Lomonosov Moscow State University (Russia). Department of Chemistry

Compounds Sr_3-xPr_xFe_1.25Ni_0.75O_7-δ with 0 ≤ x ≤ 0.4 and Ruddlesden–Popper n = 2 type structures were synthesized and investigated by X-ray and neutron powder diffraction, thermogravimetry, and Mössbauer spectroscopy. Both samples, prepared at 1300 °C under N₂(g) flow and samples subsequently air-annealed at 900 °C, were studied. The structures contained oxygen vacancies in the perovskite layers, and the Fe/Ni cations had an average coordination number less than six. The oxygen content was considerably higher for air-annealed samples than for samples prepared under N₂, 7 - δ = ~6.6 and ~5.6 per formula unit, respectively. Mössbauer data collected at 7 K, below magnetic ordering temperatures, were consistent with X-ray powder diffraction (XRD) and neutron powder diffraction (NPD) results. The electrical conductivity was considerably higher for the air-annealed samples and was for x = 0.1~30 S·cm^-1 at 500 °C. The thermal expansion coefficients were measured in air between room temperature and 900 °C and was found to be 20–24 ppm·K^-1 overall.

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Research Organization:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1468058

Journal Information:: Inorganics, Vol. 6, Issue 3; ISSN 2304-6740

Publisher:: MDPICopyright Statement

Country of Publication:: United States

Language:: English

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36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
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oxygen non-stoichiometry
crystal structure
Mössbauer spectroscopy
electrical conductivity
thermal expansion

Title: Crystal Structure and Coordination of B-Cations in the Ruddlesden–Popper Phases Sr3-xPrx(Fe1.25Ni0.75)O7-δ(0 ≤ x ≤ 0.4)

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Title: Crystal Structure and Coordination of B-Cations in the Ruddlesden–Popper Phases Sr_3-xPr_x(Fe_1.25Ni_0.75)O_7-δ(0 ≤ x ≤ 0.4)