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X-ray powder diffraction studies of LixMo0₂ Sacken, Ulrich Gustav von


Debye-Scherrer x-ray powder photography is used to study the dependence of the host lattice parameters of LixMoCO₂ (0 ≤ x≤ 1) upon the lithium content (x). The results indicate that the host lattice expands considerably as x increases but that the lattice reassumes its original structure when the lithium is removed. Intercalating one equivalent of lithium (x = 1) causes a considerable (~13%) increase in the unit cell volume. This expansion is confined to directions perpendicular to the tunnels through the MoO₂ lattice. Detailed measurements are made of the voltage V(x) of Li/LixMoO₂ cells. These and the x-ray patterns both indicate that LixMoO₂ occurs in three distinct compositional phases with approximate compositions of MoO₂, Li1/2MoO₂ and LiMoO₂. First-order transitions involving pronounced hysteresis effects are observed as the lithium content is altered. A brief discussion of the electrochemical properties of the LixMoO₂ system in terms of a lattice gas model is included.

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