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  Unconventional Metal–Framework Interaction in MgSi5

Hübner, J.-M., Carrillo-Cabrera, W., Prots, Y., Bobnar, M., Schwarz, U., & Grin, Y. (2019). Unconventional Metal–Framework Interaction in MgSi5. Angewandte Chemie, International Edition in English, 58, 12914-12918. doi:10.1002/anie.201907432.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0004-983C-E Version Permalink: http://hdl.handle.net/21.11116/0000-0004-C259-D
Genre: Journal Article

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 Creators:
Hübner, Julia-Maria1, Author              
Carrillo-Cabrera, Wilder1, Author              
Prots, Yurii2, Author              
Bobnar, Matej1, Author              
Schwarz, Ulrich3, Author              
Grin, Yuri4, 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              
3Ulrich Schwarz, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863423              
4Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

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Free keywords: Atoms; Chemical bonds; Crystal atomic structure; Magnesium; Magnesium compounds; Silicon; Single crystals; Supramolecular chemistry, Atomic interactions; Cage compounds; Chemical bondings; Crystal structure determination; Diffraction tomography; High pressure high temperature; High-pressure synthesis; Synthesis optimization, Silicon compounds
 Abstract: The silicon-rich cage compound MgSi5 was obtained by high-pressure high-temperature synthesis. Initial crystal structure determination by electron diffraction tomography provided the basis for phase analyses in the process of synthesis optimization, finally facilitating the growth of single crystals suitable for X-ray diffraction experiments. The crystal structure of MgSi5 (space group Cmme, Pearson notation oS24, a=4.4868(2) Å, b=10.1066(5) Å, and c=9.0753(4) Å) constitutes a new type of framework of four-bonded silicon atoms forming Si15 cages enclosing the Mg atoms. Two types of smaller Si8 cages remain empty. The atomic interactions are characterized by two-center two-electron bonds within the silicon framework. In addition, there is evidence for multi-center Mg−Si bonding in the large cavities of the framework and for lone-pair-like interactions in the smaller empty voids. © 2019 Wiley-VCH Verlag GmbH Co. KGaA, Weinheim

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Language(s): eng - English
 Dates: 2019-09-012019-09-01
 Publication Status: Published in print
 Pages: -
 Publishing info: -
 Table of Contents: -
 Rev. Method: -
 Identifiers: DOI: 10.1002/anie.201907432
 Degree: -

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Title: Angewandte Chemie, International Edition in English
  Abbreviation : Angew. Chem,. Int. Ed. Engl.
Source Genre: Journal
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Publ. Info: Weinheim : Wiley-VCH
Pages: - Volume / Issue: 58 Sequence Number: - Start / End Page: 12914 - 12918 Identifier: ISSN: 0570-0833
CoNE: https://pure.mpg.de/cone/journals/resource/0570-0833