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Temperature dependence of the order and distribution of Mn3+and Mn4+cations in orthorhombic LiMn2O4

Journal of Alloys and Compounds
Publication Date
DOI: 10.1016/j.jallcom.2004.06.013
  • Electrode Materials
  • Chemical Synthesis
  • Crystal Structure And Symmetry
  • X-Ray Diffraction
  • Synchrotron Radiation
  • Limn2O4
  • Lithium-Ion Batteries


Abstract The structural transformations in the spinel LiMn 2O 4 were investigated using powder synchrotron radiation diffraction. Structure refinement by the Rietveld profile analysis, based on the synchrotron radiation X-ray diffraction data collected at 300, 250, and 10 K was performed on a stoichiometric lithium–manganese spinel oxide sample. Investigations on the distribution of Mn 3+ and Mn 4+ ions over the cationic sites of orthorhombic unit cell of LiMn 2O 4 were carried out at 250 and 10 K. The results of Rietveld analysis explain the effect of the anisotropic lattice parameter changes as a function of temperature. The changes in Mn 3+ distribution over octahedral sites with decreasing temperature were found to be the cause of LiMn 2O 4 lattice parameters changes.

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