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Structure determination of Li<sub><i>x</i></sub>TiS<sub>2</sub> by neutron diffraction
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1980
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X-ray CrystallographyCrystal StructureTransition Metal ChalcogenidesNeutron DiffractionEngineeringPhysicsLi-ion Battery MaterialsLi AtomsNatural SciencesApplied PhysicsCondensed Matter PhysicsAtomic PhysicsCrystal Structure DesignQuantum ChemistryHost Tis 2Neutron ScatteringCrystallographyIntercalation Compounds
The crystal structures of the intercalation compounds of Li x TiS 2 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 TiS 2 lattice for all values of x and no evidence for three-dimensional Li ordering is observed.