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A type-II clathrate with a Li-Ge framework

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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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Wei,  Kaya
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons146769

Bobnar,  Matej
Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126806

Prots,  Yurii
Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126556

Burkhardt,  Ulrich
Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

/persons/resource/persons126529

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

/persons/resource/persons126626

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

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Citation

Böhme, B., Wei, K., Bobnar, M., Prots, Y., Burkhardt, U., Baitinger, M., et al. (2017). A type-II clathrate with a Li-Ge framework. Zeitschrift für Kristallographie: International Journal for Structural, Physical, and Chemical Aspects of Crystalline Materials, 232(7-9), 543-556. doi:10.1515/zkri-201-2046.


Cite as: https://hdl.handle.net/11858/00-001M-0000-002D-CA8B-5
Abstract
Na (16) Cs (8) Li x Ge (136-x) ( x approximate to 2.8, space group Fd (3) over barm) is the first intermetallic type-II clathrate with a lithiumsubstituted framework. The phase was obtained from the elements in sealed Ta ampoules by annealing at 650 degrees C for 5 days. Samples were investigated by synchrotron X-ray powder diffraction, solid-state NMR, microstructure and chemical analysis. The substitution of Ge by Li atoms causes a marked shrinking of the lattice parameter. Studies by Li-7 NMR confirmed the presence of Li in the clathrate phase and the Na-23 and Cs-133 NMR spectra consistently showed distinct changes as compared to the ternary Na (16) Cs-8 Ge-136. The SEDOR technique revealed a distance between Li and Cs atoms in agreement with the result of crystal structure refinement, indicating Li substitution at site 96g. The distinct Knight shift of all NMR signals implies metallic behaviour of the clathrate phase, measurements of the magnetic susceptibility indicate diamagnetic behaviour.