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Original disorder-order transition related to electronic and magnetic properties in the thermoelectric misfit phase [Ca2CoO3][CoO2]1.62

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INT UNION CRYSTALLOGRAPHY
DOI: 10.1107/S0108768108030152

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A structural phase transition is shown around 400 K for the thermoelectric lamellar misfit cobalt oxide [Ca2CoO3][CoO2](1.62). This transition is related to a rearrangement of the central [CoO] layer of the [Ca2CoO3] slab of this structure, characterized by a commensurate intrinsic modulation q(2) = 2/3a* -1/3c*. The partial residual disorder related to split Co and O atomic sites along the misfit b direction disappears and one can describe this layer with its triple chains as a modulated configuration with a regular and not distorted periodicity along b. This phase transition is associated with small changes observed in the transport and magnetic properties as a function of temperature.

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