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Stacking versatility in alkali-mixed Honeycomb Layered NaKNi2TeO6

Abstract : The reaction between P2-type honeycomb layered oxides Na2Ni2TeO6 and K2Ni2TeO6 enables the formation of NaKNi2TeO6. The compound is characterized by X-ray diffraction and 23Na solid-state nuclear magnetic resonance spectroscopy, and the structure is discussed through density functional theory calculations. In addition to the honeycomb Ni/Te cationic ordering, NaKNi2TeO6 exhibits a unique example of alternation of sodium and potassium layers instead of a random alkali-mixed occupancy. Stacking fault simulations underline the impact of the successive position of the Ni/Te honeycomb layers and validate the presence of multiple stacking sequences within the powder material, in proportions that evolve with the synthesis conditions. In a broader context, this work contributes to a better understanding of the alkali-mixed layered compounds.
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https://hal.archives-ouvertes.fr/hal-03355352
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Submitted on : Wednesday, October 6, 2021 - 10:14:52 AM
Last modification on : Monday, December 6, 2021 - 4:10:07 PM

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Romain Berthelot, Jon Serrano-Sevillano, Bernard Fraisse, François Fauth, François Weill, et al.. Stacking versatility in alkali-mixed Honeycomb Layered NaKNi2TeO6. Inorganic Chemistry, American Chemical Society, 2021, 60 (18), pp.14310-14317. ⟨10.1021/acs.inorgchem.1c01876⟩. ⟨hal-03355352⟩

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