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Naji, M. |
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Motta, Antonella |
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Aletan, Dirar |
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Mohamed, Tarek |
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Ertürk, Emre |
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Taccardi, Nicola |
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Kononenko, Denys |
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Petrov, R. H. | Madrid |
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Alshaaer, Mazen | Brussels |
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Bih, L. |
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Casati, R. |
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Muller, Hermance |
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Kočí, Jan | Prague |
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Šuljagić, Marija |
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Kalteremidou, Kalliopi-Artemi | Brussels |
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Azam, Siraj |
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Ospanova, Alyiya |
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Blanpain, Bart |
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Ali, M. A. |
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Popa, V. |
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Rančić, M. |
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Ollier, Nadège |
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Azevedo, Nuno Monteiro |
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Landes, Michael |
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Rignanese, Gian-Marco |
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Clemens, Oliver
Technical University of Darmstadt
in Cooperation with on an Cooperation-Score of 37%
Topics
Publications (24/24 displayed)
- 2024Recycling of solid-state batteries—challenge and opportunity for a circular economy?citations
- 2024Garnet-Type Li₇La₃Zr₂O₁₂ Solid Electrolyte Thin Films Grown by CO₂-Laser Assisted CVD for All-Solid-State Batteries
- 2024Influence of Grain Size on the Electrochemical Performance of Li$_{7‐3x}$La$_{3}$Zr$_{2}$Al$_{x}$O$_{12}$ Solid Electrolyte
- 2024Direct Recycling of β‐Li3PS4‐Based All‐Solid‐State Li‐Ion Batteries: Interactions of Electrode Materials and Electrolyte in a Dissolution‐Based Separation Process
- 2022Comprehensive investigation of crystallographic, spin-electronic and magnetic structure of $(Co_{0.2}Cr_{0.2}Fe_{0.2}Mn_{0.2}Ni_{0.2})_3O_4$ : Unraveling the suppression of configuration entropy in high entropy oxidescitations
- 2022Thermal stabilities of Mn-based active materials in combination with the ceramic electrolyte LATP for ASSB bulk cathodescitations
- 2022Single-Layer T′ Nickelates: Synthesis of the La and Pr Members and Electronic Properties across the Rare-Earth Seriescitations
- 2022Conductivity enhancement within garnet‐rich polymer composite electrolytes via the addition of succinonitrile
- 2022Recycling of All-Solid-State Li-ion Batteries: A Case Study of the Separation of Individual Components Within a System Composed of LTO, LLZTO, and NMC
- 2022Electroless Nanoplating of Pd−Pt Alloy Nanotube Networks: Catalysts with Full Compositional Control for the Methanol Oxidation Reaction
- 2022Comprehensive investigation of crystallographic, spin-electronic and magnetic structure of (Co0.2Cr0.2Fe0.2Mn0.2Ni0.2)3O4: Unraveling the suppression of configuration entropy in high entropy oxides
- 2021PEO infiltration of porous garnet-type lithium-conducting solid electrolyte thin films
- 2021Electrochemical reduction and oxidation of Ruddlesden–Popper-type La2NiO3F2 within fluoride-ion batteriescitations
- 2021Structural, magnetic and catalytic properties of a new vacancy ordered perovskite type barium cobaltate BaCoO2.67citations
- 2020Synthesis and characterisation of Sr4Fe3-xCrxO10-δ citations
- 2020Topochemical fluorination of n = 2 Ruddlesden–Popper type Sr3Ti2O7 to Sr3Ti2O5F4 and its reductive defluorinationcitations
- 2019BaCoO2+δcitations
- 2019Composition dependence of ionic conductivity in LiSiPO(N) thin-film electrolytes for solid-state batteriescitations
- 2018Topochemical Fluorination of La2NiO4+d:citations
- 2017Nonlinear mechanical behaviour of $mathrm{Ba_{0.5}Sr_{0.5}Co_{0.8}Fe_{0.2}O_{3−δ}}$ and in situ stress dependent synchrotron X-ray diffraction studycitations
- 2016Garnet-type Li7La3Zr2O12 solid electrolyte thin films grown by CO2-laser assisted CVD for all-solid-state batteries
- 2016Synthesis, structural characterisation and proton conduction of two new hydrated phases of barium ferrite BaFeO2.5−x(OH)2xcitations
- 2016Garnet-type Li₇La₃Zr₂O₁₂ solid electrolyte thin films grown by Co₂-laser assisted CVD for all-solid-state batteries
- 2014Crystallographic and magnetic structure of the perovskite-type compound BaFeO2.5 : unrivaled complexity in oxygen vacancy orderingcitations
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article
Crystallographic and magnetic structure of the perovskite-type compound BaFeO2.5 : unrivaled complexity in oxygen vacancy ordering
Abstract
We report here on the characterization of the vacancy-ordered perovskite-type structure of BaFeO2.5 by means of combined Rietveld analysis of powder X-ray and neutron diffraction data. The compound crystallizes in the monoclinic space group P21/c [a = 6.9753(1) Å, b = 11.7281(2) Å, c = 23.4507(4) Å, β = 98.813(1)°, and Z = 28] containing seven crystallographically different iron atoms. The coordination scheme is determined to be Ba7(FeO4/2)1(FeO3/2O1/1)3(FeO5/2)2(FeO6/2)1 = Ba7Fe[6]1Fe[5]2Fe[4]4O17.5 and is in agreement with the 57Fe Mössbauer spectra and density functional theory based calculations. To our knowledge, the structure of BaFeO2.5 is the most complicated perovskite-type superstructure reported so far (largest primitive cell, number of ABX2.5 units per unit cell, and number of different crystallographic sites). The magnetic structure was determined from the powder neutron diffraction data and can be understood in terms of “G-type” antiferromagnetic ordering between connected iron-containing polyhedra, in agreement with field-sweep and zero-field-cooled/field-cooled measurements.