Li<sub>80</sub>Ba<sub>39</sub>N<sub>9</sub>: The First Li/Ba Subnitride
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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 I4̄2m, a = 16.0763(8) Å, c = 32.267(2) Å, Z = 2, and V = 8330.0(8) Å3. 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 Li13 icosahedra, which are typical for Li-rich intermetallic compounds.
创建时间:
2006-12-25



