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Structure solution of the new titanate Li4Ti8Ni3O21 using precession electron diffraction

Abstract : A sample having stoichiometry Li[Ti1.5Ni0.5]O4 has been synthesized to obtain a spinel structure. The resulting crystalline powder revealed a multiphase nature with spinel as the minor phase. The main phase is a new trigonal phase having a = 5.05910 (1), c = 32.5371 (1) Å. The structure has been solved by direct methods working on a three-dimensional set of intensities obtained from a precession electron-diffraction experiment, and refined on synchrotron powder diffraction data in the space group . The model consists of hexagonal layers of edge-sharing octahedra occupied either by the heavy cations Ti and Ni, or preferentially by Li. On the basis of cation-site occupancies the stoichiometry becomes Li4Ti8Ni3O21, which is compatible with the microanalysis results.
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https://hal-cea.archives-ouvertes.fr/cea-00658839
Contributor : Frédéric Le Cras <>
Submitted on : Wednesday, January 11, 2012 - 2:08:42 PM
Last modification on : Wednesday, October 14, 2020 - 4:21:15 AM

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Mauro Gemmi, Holger Klein, Amélie Rageau, Pierre Strobel, Frédéric Le Cras. Structure solution of the new titanate Li4Ti8Ni3O21 using precession electron diffraction. Acta Crystallographica Section B: Structural Science, International Union of Crystallography, 2010, 66 (1), pp.60-68. ⟨10.1107/S010876810904631X⟩. ⟨cea-00658839⟩

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