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  Metal Vacancy Ordering in an Antiperovskite Resulting in Two Modifications of Fe2SeO

Valldor, M., Wright, T., Fitch, A., & Prots, Y. (2016). Metal Vacancy Ordering in an Antiperovskite Resulting in Two Modifications of Fe2SeO. Angewandte Chemie, 128(32), 9526-9529. doi:10.1002/ange.201603920.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0001-6690-9 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-6692-7
Genre: Journal Article

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 Creators:
Valldor, Martin1, Author              
Wright, Taylor2, Author              
Fitch, Andrew3, Author
Prots, Yu.4, Author              
Affiliations:
1Martin Valldor, Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863454              
2Physics of Correlated Matter, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863445              
3External Organizations, ou_persistent22              
4Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863424              

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Free keywords: Antiperowskite, Chiralität, Kristallzüchtung, Magnetische Eigenschaften, Röntgenbeugung
 Abstract: Abstract Small, red Fe2SeO single crystals in two modifications were obtained from a CsCl flux. The metastable α‐phase is pseudo‐tetragonal (Cmce, a=16.4492(8) Å, b=11.1392(4) Å, c=11.1392(4) Å), whereas the β‐phase is trigonal (P31, a=9.8349(4) Å, c=6.9591(4) Å)) and thermodynamically stable within a narrow temperature range. Both crystal structures were solved from twinned specimens. The enantiomers of the β‐phase appear as racemic mixtures. Selenium and oxygen form two individual interpenetrating primitive cubic lattices, giving a bcc packing. A quasi‐octahedrally coordinated iron atom is found close to the center of each surface of the selenium sublattice. The difference between the α‐ and β‐phases is the distribution of iron at 2/3 of the surfaces. α‐ and β‐Fe2SeO are comparable with metal‐vacancy‐ordered antiperovskites. Each Fe/O lattice can also be described in terms of vertex‐sharing OFe4 tetrahedra, with a crystal structure similar to that of an antisilicate. Iron is divalent and has a high‐spin d6 (S=2) configuration. The β‐phase exhibits magnetoelectric coupling.

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Language(s): eng - English
 Dates: 2016-06-162016-06-16
 Publication Status: Published in print
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 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.1002/ange.201603920
BibTex Citekey: doi:10.1002/ange.201603920
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Title: Angewandte Chemie
Source Genre: Journal
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Pages: - Volume / Issue: 128 (32) Sequence Number: - Start / End Page: 9526 - 9529 Identifier: -