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

MPG-Autoren
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Carrillo-Cabrera,  Wilder
Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Ormeci,  Alim
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Böhme,  Bodo
Bodo Böhme, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Baitinger,  Michael
Michael Baitinger, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Grin,  Yuri
Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Zitation

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.


Zitierlink: https://hdl.handle.net/11858/00-001M-0000-0026-C002-C
Zusammenfassung
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.