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Chemical Twinning of Salt and Metal in the Subnitridometalates Ba 23 Na 11 (MN 4 ) 4 with M=V, Nb, Ta
Author(s) -
Wörsching Matthias,
Tambornino Frank,
Datz Stefan,
Hoch Constantin
Publication year - 2016
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201605113
Subject(s) - crystal twinning , materials science , salt (chemistry) , metal , crystallography , chemistry , inorganic chemistry , analytical chemistry (journal) , metallurgy , microstructure , chromatography
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.