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  Type-I silicon clathrates containing lithium

Böhme, B., Bobnar, M., Ormeci, A., Peters, S., Schnelle, W., Baitinger, M., et al. (2017). Type-I silicon clathrates containing lithium. Zeitschrift für Kristallographie: International Journal for Structural, Physical, and Chemical Aspects of Crystalline Materials, 232(1-3), 223-233. doi:10.1515/zkri-2016-1983.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002D-0A22-B Version Permalink: http://hdl.handle.net/21.11116/0000-0000-6E0B-A
Genre: Journal Article

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 Creators:
Böhme, Bodo1, Author              
Bobnar, Matej2, Author              
Ormeci, Alim2, Author              
Peters, Sarah3, Author              
Schnelle, Walter4, Author              
Baitinger, Michael5, Author              
Grin, Yuri6, Author              
Affiliations:
1Bodo Böhme, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863408              
2Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
3Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863404              
4Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
5Michael Baitinger, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863416              
6Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

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 Abstract: The intermetallic phase [LixBa8-x][LiySi46-y] is the first example of a clathrate-I silicide containing lithium with the peculiarity that the Li atoms occupy both cage and framework positions. The phase was obtained by ambient-pressure solid-state reactions at 400 degrees C between Ba4Li2Si6 and the binary clathrate phase Ba8-xSi46 applying different experimental approaches. In this reaction, Li atoms substitute Si atoms of the framework at site 6c (space group Pm (3) over barn) and fill up the Ba-deficient dodecahedral Si-20 cages at site 2a. The presence of Li atoms in the clathrate phase was proven by combined X-ray powder diffraction, Li-7 and Si-29 solid-state NMR analyses. Incorporation of lithium markedly increased the lattice parameter of the clathrate phase, e. g. from a = 10.3200(2)A

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Language(s): eng - English
 Dates: 2017-01-162017-01-16
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: ISI: 000394243800017
DOI: 10.1515/zkri-2016-1983
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Title: Zeitschrift für Kristallographie: International Journal for Structural, Physical, and Chemical Aspects of Crystalline Materials
  Other : Z. Kristallogr.
Source Genre: Journal
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Publ. Info: München : Oldenbourg Wissenschaftsverlag
Pages: - Volume / Issue: 232 (1-3) Sequence Number: - Start / End Page: 223 - 233 Identifier: ISSN: 0044-2968
CoNE: /journals/resource/110978984076855_1