Abstract
Abstract : We report the first example of a layered ternary lithium nitride in which the lithium can be deintercalated and reintercalated. This ternary nitride, LiMoN2, has been synthesized by the reaction of two different precursors, Li2Mo(NtBu)4 and Li2MoO4, with ammonia gas. The structure was refined using a combination of X-ray and neutron powder diffraction data in the space group R3 and the lattice parameters are (A) a=2.8672(3) and c=15.813(3) which were obtained from the neutron data. The ideal structure consists of MoN2 layers with Mo in trigonal prismatic holes and Li in octahedral holes between the MoN2 layers. The diffraction studies indicate the presence of cation anti-site defects; the structure is best described as Solid State Nitrides Li batteries Crystal Structure Magnetic and Electrical Properties (Li0.84Mo0.16) oct(Mo0.84Li0.16)tpN2. LiMoN2 is metallic and Pauliparamagnetic with Xo = 0.59 x 10(6) emu g-1. We have employed a variety of different oxidizing agents for the deintercalation of the lithium from LiMoN2 and have been able to deintercalate up to 64% of the lithium. This deintercalated species can be reintercalated with n-butyllithium (in hexane) at room temperature. Electrochemical studies show a large hysteresis in charge-discharge cycles.
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