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Neutron and x-ray powder diffraction have been used to investigate thecrystal structures of a sample of the newly-discovered superconducting sodiumcobaltate deuterate compound with composition Na0.31(3)CoO2o1.25(2)D2O and itsanhydrous parent compound Na0.61(1)CoO2. The deuterate superconducting compoundis formed by coordinating four D2O molecules (two above and two below) to eachNa ion in a way that gives Na-O distances nearly equal to those in the parentcompound. One deuteron of the D2O molecule is hydrogen bonded to an oxygen atomin the CoO2 plane and the oxygen atom and the second deuteron of each D2Omolecule lie approximately in a plane between the Na layer and the CoO2 layers.This coordination of Na by four D2O molecules leads to ordering of the Na ionsand D2O molecules. The sample studied here, which has Tc=4.5 K, has a refinedcomposition of Na0.31(3)CoO2o1.25(2)D2O, in agreement with the expected 1:4ratio of Na to D2O. These results show that the optimal superconductingcomposition should be viewed as a specific hydrated compound, not a solidsolution of Na and D2O (H2O) in NaxCoO2oyD2O. Studies of physical propertiesvs. Na or D2O composition should be viewed with caution until it is verifiedthat the compound remains in the same phase over the composition range of thestudy.Comment: 22 pages, 8 figure

physical review. b, condensed matter

Crystal structure of the sodium cobaltate deuterate superconductor<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Na</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">CoO</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:mrow><mml:mi>⋅</mml:mi><mml:mn>4</mml:mn><mml:mi>x</mml:mi><mml:mrow><mml:msub…

Crystal structure of the sodium cobaltate deuterate superconductorNaxCoO2⋅4x