The structure of LiMoS2 has been experimentally determined. The approach of atomic pair distribution function analysis was used because of the lack of well-defined Bragg peaks due to the short structural coherence (∼50 Å) in this intercalation compound. The reduction of Mo by Li results in Mo-Mo bonding with the formation of chains of distorted Mo-S6 octahedra. Using refined structural parameters the electronic band structure for this material has been calculated and is in good agreement with observed material properties.
|Number of pages||4|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|State||Published - Mar 1 2002|