Fig. 1: Structural characterization of P3-type Na2/3Cu1/3Mn2/3O2 and the illustration of its structure. | Nature Communications

Fig. 1: Structural characterization of P3-type Na2/3Cu1/3Mn2/3O2 and the illustration of its structure.

From: Stabilizing lattice oxygen redox in layered sodium transition metal oxide through spin singlet state

Fig. 1

Structure refinement of P3-type Na2/3Cu1/3Mn2/3O2 using a XRD (λ = 0.41285 Å) and b neutron PDF data. The experimental data are shown in black dots, calculated data in red curve and differences are shown in blue curve. The experimental PDF of P3-type Na2/3Zn1/3Mn2/3O2 (b) is shown in olive curve for comparison. Refined structures (from neutron diffraction data) of the pristine P3-type Na2/3Cu1/3Mn2/3O2 in top view of c TMO6 layer and d NaO6 layer, and e cell in side-view. f Illustrations of long and short Cu-O bonds in JT distorted CuO6 octahedron.

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