Powder neutron diffraction study of LiMnVO4

Abstract

Powder neutron diffraction data have been recorded for LiMnVO₄. The crystal structure was determined by Rietveld analysis. The Rietveld refinement confirmed that the compound adopts an orthorhombic spinel-related structure. The framework structure of the compound is comprised of nearly regular, edge-sharing octahedra of MnO₆. The lithium and vanadium atoms in LiMnVO₄ occupy, as partially mixed species, the two kinds of tetrahedral interstitial sites constructed by cubic close-packed oxygen atom arrays; this structural feature is quite similar to those of CrVO₄ and LiCuVO₄. The magnetic susceptibility and the metal–oxygen bond distances estimated from the refined structure of LiMnVO₄ clearly indicate that the valence states for the transition-metal ions are divalent for manganese ions and pentavalent for vanadium ions.