Abstract
During lithium de-intercalation from Li1−zNi1+zO2 (0.05<z<0.02), a monoclinic phase with an extended lithium composition range (0.50<xLi<0.75) had previously been reported. As this material seems to play an important role during the electrochemical cycling, its structure has been carefully determined by X-ray diffraction and X-ray absorption studies. The Rietveld refinement of Li0.63Ni1.02O2, obtained by electrochemical de-intercalation from quasi-stoichiometric Li0.98Ni1.02O2 phase, shows that the structural distortion is very weak in comparison to that reported for layered NaNiO2. Extended X-ray Absorption Fine Structure data, performed on Li0.63Ni1.02O2, are discussed in comparison with those of Li0.98Ni1.02O2 and Li0.90Ni1.10O2. While the latter two materials exhibit a local distortion of the NiIIIO6 octahedra, induced by the Jahn–Teller effect of trivalent nickel ions in the low spin state t26e1, only a part of them are distorted at room temperature in Li0.63Ni1.02O2. This result shows clearly that the Jahn–Teller effect is not the driving force of the monoclinic distortion in Lix−zNi1+zO2 phases.
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