Structure determination of LixTiS2 by neutron diffraction

Abstract
The crystal structures of the intercalation compounds of LixTiS2 are investigated by neutron diffraction for x = 0.12, 0.33, 0.67, and 1.0. The Li atoms are shown to preferentially occupy the octahedral sites in the van der Waals gaps of the host TiS2 lattice for all values of x and no evidence for three-dimensional Li ordering is observed.