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Nb~3~Ru~5~B~2~ – The First Fully Characterized Ternary Phase in the Nb‐Ru‐B System: Synthesis, Crystal Structure, and Bonding Analysis by Martin Hermus; Daniel Geier; Priv.-Doz. Dr. Boniface P. T. Fokwa is a Chemistry article available to read on EtoBox.

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## Abstract The first fully characterized phase in the Nb‐Ru‐B system, Nb~3~Ru~5~B~2~, was successfully synthesized as polycrystalline powders as well as single crystals and characterized by EDX analysis and X‐ray diffraction methods. It is the first ternary phase of the type __A__~3~__T__~5~B~2~ adopting the Ti~3~Co~5~B~2~ structure type and containing a group eight transition metal at the __T__ sites. According to COHP bonding analysis the Nb–Nb interactions between two pentagonal prisms are strongly bonding and thus weaken the Nb–Ru interactions, which become significantly weaker than those found in the tetragonal prisms. Furthermore a deep pseudogap is found around the Fermi Level of the calculated DOS and the phase is predicted to be a metallic conductor as expected for this metal‐rich boride.

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Author

Martin Hermus; Daniel Geier; Priv.-Doz. Dr. Boniface P. T. Fokwa

Publisher

John Wiley and Sons; Wiley (John Wiley & Sons); Wiley - V C H Verlag GmbbH & Co.; Wiley (ISSN 0372-7874)

Published

2011

Language

EN

Field

Chemistry (Physical Sciences)