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  CeMo2B5: A New Type of Arrangement of Puckered Boron Hexagonal Rings

Flipo, S., Kohout, M., Roth, F., Weigel, T., Schnelle, W., Bobnar, M., et al. (2019). CeMo2B5: A New Type of Arrangement of Puckered Boron Hexagonal Rings. European Journal of Inorganic Chemistry, 3572-3580. doi:10.1002/ejic.201900411.

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Item Permalink: http://hdl.handle.net/21.11116/0000-0004-8CCE-7 Version Permalink: http://hdl.handle.net/21.11116/0000-0004-8CD0-3
Genre: Journal Article

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 Creators:
Flipo, Sever1, Author              
Kohout, Miroslav2, Author              
Roth, Friedrich3, Author
Weigel, Tina3, Author
Schnelle, Walter4, Author              
Bobnar, Matej1, Author              
Ormeci, Alim1, Author              
Burkhardt, Ulrich5, Author              
Hennig, Christoph3, Author
Leisegang, Tilmann3, Author
Meyer, Dirk-Carl3, Author
Leithe-Jasper, Andreas6, Author              
Gumeniuk, Roman3, Author
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Miroslav Kohout, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863417              
3External Organizations, ou_persistent22              
4Walter Schnelle, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863441              
5Ulrich Burkhardt, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863422              
6Andreas Leithe-Jasper, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863406              

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 Abstract: REMo2B5 (RE = Ce, Pr, Nd) and CeW2B5 have been synthesized by arc melting with further annealing at 1300 °C. CeMo2B5 crystallizes in a new structure type with space group Pnma, a = 11.0298(2) Å, b = 3.12080(5) Å, c = 9.9594(2) Å, Z = 4. Its structural arrangement reveals puckered [B6]-hexagonal rings, trigonal-prismatic- and empty pyramidal-tetrahedral-slabs. The structure can be related to the derivatives of AlB2 and CrB prototypes. The boron atoms form a two-dimensional network of corrugated ribbons, each composed of four edge-linked [B6] rings infinitely extending along the b-axis. CeMo2B5 is a Pauli paramagnet. Electrical transport measurements together with the calculated density of states at the Fermi level of 3.81 states eV–1 f.u.–1 indicate CeMo2B5 to be a typical metallic system. Electronic structure calculations reveal significant hybridization of Ce 4f5d states with Mo 4d states. The chemical bonding scenario is dominated by chains of [Ce2Mo2] clusters with multi-center bonds. These clusters are connected via metallic Mo–Mo bonds. This metal-framework, in turn, is stabilized by bonding interactions with the boron ribbons to which it donates electrons. © 2019 The Authors. Published by Wiley-VCH Verlag GmbH Co. KGaA.

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Language(s): eng - English
 Dates: 2019-08-152019-08-15
 Publication Status: Published in print
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 Identifiers: DOI: 10.1002/ejic.201900411
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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: 3572 - 3580 Identifier: ISSN: 1434-1948
CoNE: https://pure.mpg.de/cone/journals/resource/954926953810_1