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  Distribution of Al atoms in the clathrate-I phase Ba8AlxSi46-x at x=6.9

Bobnar, M., Böhme, B., Wedel, M., Burkhardt, U., Ormeci, A., Prots, Y., et al. (2015). Distribution of Al atoms in the clathrate-I phase Ba8AlxSi46-x at x=6.9. Dalton Transactions, 44(28), 12680-12687. doi:10.1039/c5dt01198a.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0028-4FFF-9 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-17FA-C
Genre: Journal Article

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 Creators:
Bobnar, Matej1, Author              
Böhme, Bodo2, Author              
Wedel, Michael3, Author              
Burkhardt, Ulrich4, Author              
Ormeci, Alim1, Author              
Prots, Yurii5, Author              
Drathen, Christina6, Author
Liang, Ying3, Author              
Nguyen, Hong Duong1, Author              
Baitinger, Michael7, Author              
Grin, Yuri8, Author              
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Bodo Böhme, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863408              
3Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863404              
4Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863422              
5Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863424              
6External Organizations, ou_persistent22              
7Michael Baitinger, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863416              
8Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

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 Abstract: The clathrate-I phase Ba8AlxSi46-x has been structurally characterized at the composition x = 6.9 (space group Pm (3) over barn, no. 223, a = 10.4645(2) angstrom). A crystal structure model comprising the distribution of aluminium and silicon atoms in the clathrate framework was established: 5.7 Al atoms and 0.3 Si atoms occupy the crystallographic site 6c, while 1.2 Al atoms and 22.8 Si atoms occupy site 24k. The atomic distribution was established based on a combination of Al-27 and Si-29 NMR experiments, X-ray single-crystal diffraction and wavelength-dispersive X-ray spectroscopy.

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Language(s): eng - English
 Dates: 2015-08-222015-08-22
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000357899600030
DOI: 10.1039/c5dt01198a
 Degree: -

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Title: Dalton Transactions
  Other : Dalton Trans.
Source Genre: Journal
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Publ. Info: Cambridge, UK : Royal Society of Chemistry
Pages: - Volume / Issue: 44 (28) Sequence Number: - Start / End Page: 12680 - 12687 Identifier: ISSN: 1477-9226
CoNE: /journals/resource/954925269323