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Figure 1
Visualizations of the curved one-dimensional Li-ion diffusion pathway in the LiFePO4 crystal structure by various methods. (a) From Islam's work based on the MD approach. Adapted with permission from Islam et al. (2005BB17). Copyright (2005) American Chemical Society. (b) The nuclear distribution of Li atoms given in the [010] and [001] directions, respectively. Adapted by permission from Nishimura et al. (2008BB28). Copyright (2008) Macmillan Publishers Ltd, Nature Materials. (c) LiFePO4 BVS map sliced along the ab plane. (d) The crystal structure of LiFePO4 with an incorporated BVS map. Li ions are depicted as orange spheres, and blue octahedra and green tetrahedra designate FeO6 and PO4 polyhedra, respectively.

IUCrJ
Volume 2| Part 1| January 2015| Pages 85-94
ISSN: 2052-2525
doi:10.1107/S205225251402329X