Chemical Twinning of Salt and Metal in the Subnitridometalates Ba 23 Na 11 (MN 4 ) 4 with M=V, Nb, Ta

Abstract The subnitridometalates Ba 23 Na 11 (MN 4 ) 4 (M=V, Nb, Ta) crystallize in a new structure type, which shows ionic ortho ‐nitridometalate anions and motifs from simple (inter)metallic packings: Na‐centered [Na 8 ] cubes as cutouts of the bcc structure of elemental Na and Na‐centered [Ba 10...

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Published inAngewandte Chemie International Edition Vol. 55; no. 36; pp. 10868 - 10871
Main Authors Wörsching, Matthias, Tambornino, Frank, Datz, Stefan, Hoch, Constantin
Format Journal Article
LanguageEnglish
Published 26.08.2016
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Summary:Abstract The subnitridometalates Ba 23 Na 11 (MN 4 ) 4 (M=V, Nb, Ta) crystallize in a new structure type, which shows ionic ortho ‐nitridometalate anions and motifs from simple (inter)metallic packings: Na‐centered [Na 8 ] cubes as cutouts of the bcc structure of elemental Na and Na‐centered [Ba 10 Na 2 ] icosahedra as found in Laves phases, for example. Single‐crystal and powder X‐ray diffraction studies in combination with quantum‐chemical calculations of the electronic structure and Raman spectroscopy support the characterization of the subnitridometalates as “chemical twins”. They consist of independent building units with locally prevalent ionic or metallic bonding in an overall metallic compound.
ISSN:1433-7851
1521-3773
DOI:10.1002/anie.201605113