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Li80Ba39N9: The first Li/Ba subnitride

MPG-Autoren
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Smetana,  V.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;
Department Nanochemistry (Bettina V. Lotsch), Max Planck Institute for Solid State Research, Max Planck Society;

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Babizhetskyy,  V.
Department Nanochemistry (Bettina V. Lotsch), Max Planck Institute for Solid State Research, Max Planck Society;
Department Quantum Materials (Hidenori Takagi), Max Planck Institute for Solid State Research, Max Planck Society;
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Vajenine,  G. V.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Simon,  A.
Former Departments, Max Planck Institute for Solid State Research, Max Planck Society;

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Zitation

Smetana, V., Babizhetskyy, V., Vajenine, G. V., & Simon, A. (2006). Li80Ba39N9: The first Li/Ba subnitride. Inorganic Chemistry, 45(26), 10786-10789.


Zitierlink: https://hdl.handle.net/21.11116/0000-000E-FB47-8
Zusammenfassung
The crystal structure of Li80Ba39N9, a new representative of
alkali-alkaline-earth metal subnitrides prepared from the metals and
barium azide, was investigated based on single-crystal X-ray
diffraction data. The compound has a novel crystal structure with a
tetragonal unit cell, space group I (4) over bar 2m, a = 16.0763(8)
angstrom, c = 32.267(2) angstrom, Z = 2, and V = 8330.0(8) angstrom(3).
The structure can be described in terms of subnitride clusters with
internal ionic bonding and metallic bonding in the rest of the space.
The compound contains a new cluster Li12Ba5N6 and polytetrahedral Li
clusters based on centered Li-13 icosahedra, which are typical for
Li-rich intermetallic compounds.