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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 International Edition in English, 9380-9383. doi:10.1002/anie.201603920.

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 Creators:
Valldor, Martin1, Author              
Wright, Taylor2, Author              
Fitch, Andrew3, Author
Prots, Y.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: 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
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1002/anie.201603920
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Title: Angewandte Chemie International Edition in English
  Other : Angewandte Chemie, International Edition in English
  Abbreviation : Angew. Chem. Int. Ed.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: - Sequence Number: - Start / End Page: 9380 - 9383 Identifier: ISSN: 0570-0833
CoNE: https://pure.mpg.de/cone/journals/resource/0570-0833