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Structural and Magnetic Properties of BaFeO2.667 Synthesized by Oxidizing BaFeO2.5 Obtained via Nebulized Spray Pyrolysis

Wollstadt, Stephan ; Ikeda, Yuji ; Sarkar, Abhishek ; Vasala, Sami ; Fasel, Claudia ; Alff, Lambert ; Kruk, Robert ; Grabowski, Blazej ; Clemens, Oliver (2021)
Structural and Magnetic Properties of BaFeO2.667 Synthesized by Oxidizing BaFeO2.5 Obtained via Nebulized Spray Pyrolysis.
In: Inorganic Chemistry, 60 (15)
doi: 10.1021/acs.inorgchem.1c00434
Article, Bibliographie

Abstract

A vacancy-ordered perovskite-type compound Ba3Fe3O8 (BaFeO2.667) was prepared by oxidizing BaFeO2.5 (P21/c) with the latter compound obtained by a spray pyrolysis technique. The structure of Ba3Fe3O8 was found to be isotypic to Ba3Fe3O7F (P21/m) and can be written as Ba3Fe3+2Fe4+1O8. Mossbauer spectroscopy and ab initio calculations were used to confirm mixed iron oxidation states, showing allocation of the tetravalent iron species on the tetrahedral site, and octahedral as well as square pyramidal coordination for the trivalent species within a G-type antiferromagnetic ordering. The uptake and release of oxygen were investigated over a broad temperature range from room temperature to 1100 °C under pure oxygen and ambient atmosphere via a combination of DTA/TG and variable temperature diffraction measurements. The compound exhibited a strong lattice enthalpy driven reduction to monoclinic and cubic BaFeO2.5 at elevated temperatures.

Item Type: Article
Erschienen: 2021
Creators: Wollstadt, Stephan ; Ikeda, Yuji ; Sarkar, Abhishek ; Vasala, Sami ; Fasel, Claudia ; Alff, Lambert ; Kruk, Robert ; Grabowski, Blazej ; Clemens, Oliver
Type of entry: Bibliographie
Title: Structural and Magnetic Properties of BaFeO2.667 Synthesized by Oxidizing BaFeO2.5 Obtained via Nebulized Spray Pyrolysis
Language: English
Date: 2 August 2021
Publisher: American Chemical Society
Journal or Publication Title: Inorganic Chemistry
Volume of the journal: 60
Issue Number: 15
DOI: 10.1021/acs.inorgchem.1c00434
Abstract:

A vacancy-ordered perovskite-type compound Ba3Fe3O8 (BaFeO2.667) was prepared by oxidizing BaFeO2.5 (P21/c) with the latter compound obtained by a spray pyrolysis technique. The structure of Ba3Fe3O8 was found to be isotypic to Ba3Fe3O7F (P21/m) and can be written as Ba3Fe3+2Fe4+1O8. Mossbauer spectroscopy and ab initio calculations were used to confirm mixed iron oxidation states, showing allocation of the tetravalent iron species on the tetrahedral site, and octahedral as well as square pyramidal coordination for the trivalent species within a G-type antiferromagnetic ordering. The uptake and release of oxygen were investigated over a broad temperature range from room temperature to 1100 °C under pure oxygen and ambient atmosphere via a combination of DTA/TG and variable temperature diffraction measurements. The compound exhibited a strong lattice enthalpy driven reduction to monoclinic and cubic BaFeO2.5 at elevated temperatures.

Uncontrolled Keywords: Chemical structure, Magnetic properties, Oxygen, Iron, Diffraction
Divisions: 11 Department of Materials and Earth Sciences
11 Department of Materials and Earth Sciences > Material Science
11 Department of Materials and Earth Sciences > Material Science > Advanced Thin Film Technology
11 Department of Materials and Earth Sciences > Material Science > Dispersive Solids
11 Department of Materials and Earth Sciences > Material Science > Fachgebiet Materialdesign durch Synthese
11 Department of Materials and Earth Sciences > Material Science > Joint Research Laboratory Nanomaterials
TU-Projects: DFG|CL551/2-1|Topochmische Fluorie
DFG|CL551/2-1|3. FA Topochemische
Date Deposited: 26 Aug 2021 05:50
Last Modified: 26 Aug 2021 05:50
PPN:
Projects: German Research Foundation (DFG), Grant Number CL551/2-1, German Research Foundation (DFG), Grant Number INST 40/575-1 FUGG, State of Baden-Württemberg, bwHPC, European Research Council (ERC), European Union’s Horizon 2020 research and innovation programme, Grant Number 865855
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