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  The 2a0 x 2a0 x 2a0 Superstructure in the Clathrate-I K8LixGe44-x/42-3x/4

Liang, Y., Carrillo-Cabrera, W., Ormeci, A., Böhme, B., Baitinger, M., & Grin, Y. (2015). The 2a0 x 2a0 x 2a0 Superstructure in the Clathrate-I K8LixGe44-x/42-3x/4. Zeitschrift für anorganische und allgemeine Chemie, 641(2), 339-347. doi:10.1002/zaac.201400565.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0026-C002-C Version Permalink: http://hdl.handle.net/21.11116/0000-0000-3578-E
Genre: Journal Article

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 Creators:
Liang, Ying1, Author
Carrillo-Cabrera, Wilder2, Author              
Ormeci, Alim2, Author              
Böhme, Bodo3, Author              
Baitinger, Michael4, Author              
Grin, Yuri5, Author              
Affiliations:
1External Organizations, ou_persistent22              
2Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
3Bodo Böhme, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863408              
4Michael Baitinger, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863416              
5Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

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 Abstract: In the crystal structure of the clathrate-I K8LixGe44-x/4 square(2-3x/4), the K atoms fill the polyhedral cages of a host framework formed by Li and Ge atoms. The phase has been obtained in two forms, at elevated temperatures with space group Pm (3) over bar n, and at low temperatures with a 2a(0) x 2a(0) x 2a(0) superstructure. In this work, we report on the direct preparation of the low-temperature form by thermal decomposition of the precursor phase K7LiGe8 at 400 degrees C. The obtained product K8Li2.48(7)Ge43.37(9)square(0.15(6)) [a = 21.5489(2)angstrom, Z = 8] was found to be virtually identical with the one prepared by annealing of the hightemperature form at this temperature. The superstructure was investigated by X-ray powder diffraction and transmission electron microscopy, revealing the space group Ia3 _ d. The low-temperature form of K8LixGe44-x/4 square(2-3x/4) represents one of the rare examples for a clathrate-I superstructure primarily caused by an ordered arrangement of heteroatoms. Two similar, yet inequivalent models for the description of the ordering of lithium atoms in the framework are discussed.

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Language(s): eng - English
 Dates: 2015-02-022015-02-02
 Publication Status: Published in print
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 Rev. Method: -
 Identifiers: ISI: 000351444500033
DOI: 10.1002/zaac.201400565
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Title: Zeitschrift für anorganische und allgemeine Chemie
  Other : Journal of Inorganic and General Chemistry
  Other : J. Inorg. Gen Chem.
  Abbreviation : Z. Anorg. Allg. Chem.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: 641 (2) Sequence Number: - Start / End Page: 339 - 347 Identifier: ISSN: 0044-2313
CoNE: /journals/resource/954925453895