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Cation Ordering in Layered O3 Li[NixLi1/3-2x/3Mn2/3-x/3]O2 (0 ≤ x ≤ 1/2) Compounds
Abstract
Three layered compounds, Li[Ni 1/2 Mn 1/2 ]O 2 ( x = 1 / 2 ), Li[Li 1/9 Ni 1/ 3 Mn 5/9 ]O 2 ( x = 1 / 3 ), and Li 2 MnO 3 ( x = 0) of the Li[Ni x Li 1/3 - 2 x /3 Mn 2/ 3 - x /3 ]O 2 series were studied by electron diffraction in combination with synchrotron X-ray powder diffraction analyses. In-plane √3 a hex. × √3 a hex. ordering was found in all three samples, and a likely model for the occupancies of Li +, Ni 2+, and Mn 4+ on the sublattices of the transition metal layer was proposed. Perpendicular to the c hex. axis, the ordered transition metal layers in the layered Li[Ni 1/2 Mn 1/2 ]O 2 and Li[Li 1/9 Ni 1/3 Mn 5/9 ]O 2 crystals could be arranged mostly in the P 3 1 12 stacking with some C 2/ m stacking (such as abab... ) abnormally. It is believed that the nickel ions in the lithium layer of these two samples play an important role in the stacking of transition metal layers. Moreover, electron diffraction analyses suggested that individual Li 2 MnO 3 crystals that were obtained at 850 °C had at least two different C 2/ m stacking sequence variants ( abab..., caca..., and cbcb... ) coexisting along the c hex. axis, which were associated with the presence of some P 3 1 12 stacking abnormally.
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Metadata
- Authors
- Meng, Y. S., Ceder, G., Grey, C. P., Yoon, W.-S., Jiang, M., Bréger, J., & Shao-Horn, Y.
- Venue
- Chemistry of Materials
- Publisher
- American Chemical Society (ACS)
- Published
- 2005-03-23
- Volume
- 17
- Issue
- 9
- Pages
- 2386-2394
- ISSN
- 0897-4756 (ISSN-L)
- 1520-5002
- OpenAlex
- W1998222681
- Cited by
- 312
- References
- 0
- FWCI
- 8.26
- Type
- journal article
- Language
- en
- Open access
- closed
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