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  From Zintl to Wade: Ba3LiGa5 – A Structure Pattern with Pyramidal Cluster Chains –[Ga5]n

Kotsch, M., Prots, Y., Ormeci, A., Bobnar, M., Wagner, F. R., Senyshyn, A., et al. (2020). From Zintl to Wade: Ba3LiGa5 – A Structure Pattern with Pyramidal Cluster Chains –[Ga5]n–. European Journal of Inorganic Chemistry, 2842-2849. doi:10.1002/ejic.202000413.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0006-BF3D-0 Version Permalink: http://hdl.handle.net/21.11116/0000-0007-1158-3
Genre: Journal Article

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 Creators:
Kotsch, Matthias1, Author              
Prots, Yurii2, Author              
Ormeci, Alim1, Author              
Bobnar, Matej1, Author              
Wagner, Frank R.3, Author              
Senyshyn, A.4, Author
Grin, Yuri5, Author              
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Yuri Prots, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863424              
3Frank Wagner, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863409              
4External Organizations, ou_persistent22              
5Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

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Free keywords: Clusters compounds, Intermetallic phases, Neutron diffraction, NMR spectroscopy, Zintl phases
 Abstract: Investigation of the correlation between the crystal structure, electronegativity difference and valence electron concentration in intermetallic gallides lead to the discovery of the new compound Ba3LiGa5 (space group Immm, a = 6.2720(2) Å, b = 6.5872(2) Å, c = 12.6878(8) Å). A combination of quantum chemical bonding analysis with NMR study revealed the gallium substructure to be formed of chains built of the interconnected pyramidal [Ga5] clusters. Analysis of chemical bonding by means of the electron localizability approach confirmed the presence nido-[Ga5] Wade clusters. Lithium species are not only required for the purpose of charge compensation, but also – analogous to a transition metal – occupies partially the same crystallographic position as gallium. © 2020 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

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Language(s): eng - English
 Dates: 2020-05-252020-05-25
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Type: -
 Identifiers: DOI: 10.1002/ejic.202000413
 Degree: -

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Title: European Journal of Inorganic Chemistry
  Abbreviation : Eur. J. Inorg. Chem.
Source Genre: Journal
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Publ. Info: Weinheim, Germany : Wiley-VCH
Pages: - Volume / Issue: - Sequence Number: - Start / End Page: 2842 - 2849 Identifier: ISSN: 1434-1948
CoNE: https://pure.mpg.de/cone/journals/resource/954926953810_1