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The crystal structure of Na0.5CoO2, determined by powder neutron diffraction,is reported. The structure consists of layers of edge-shared CoO6 octahedra ina triangular lattice, with Na ions occupying ordered positions in theinterleaving planes. The Na ions form one-dimensional zigzag chains. Two typesof Co ions, which differ only subtly in their coordination by oxygen, are alsofound in chains. Specific heat measurements show that the transitions observedat 87 K and 53 K in the resistivity and magnetic susceptibility are accompaniedby changes in entropy. Electron diffraction studies suggest that the 87Ktransition may have a structural component.Comment: 19 pages, 10 figures, submitted to Journal of Physics: Condensed  Matter. Revised structural parameters on page

Low temperature phase transitions and crystal structure of Na0.5CoO2

Low temperature phase transitions and crystal structure of Na_0.5CoO₂