(Na,□)5[MnO2]13 nanorods: a new tunnel structure for electrode materials determined ab initio and refined through a combination of electron and synchrotron diffraction data

Mugnaioli, E.; Gemmi, M.; Merlini, M.; Gregorkiewitz, M.

doi:10.1107/S2052520616015651

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 4
Observed (Y_o, dots), calculated (Y_c, line), difference (Y_o − Y_c, below) and background (Y_b, smooth line) intensities as obtained after Rietveld refinement using synchrotron data. All intensities are multiplied by 6 for 2θ ≥ 20° to show details. Ticks give reflection positions, from top to bottom, for birnessite, Na₂Mn₃O₇ and (Na,□)₅[MnO₂]₁₃. The inset shows the fit in the low-angle region which is important for Na site occupation factors (see text). λ = 0.415352 Å.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 72| Part 6| December 2016| Pages 893-903

https://doi.org/10.1107/S2052520616015651

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