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(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.

ABSTRACT: (Na_x□_1 - x)₅[MnO₂]₁₃ has been synthesized with x = 0.80 (4), corresponding to Na_0.31[MnO₂]. This well known material is usually cited as Na_0.4[MnO₂] and is believed to have a romanèchite-like framework. Here, its true structure is determined, ab initio, by single-crystal electron diffraction tomography (EDT) and refined both by EDT data applying dynamical scattering theory and by the Rietveld method based on synchrotron powder diffraction data (χ² = 0.690, R_wp = 0.051, R_p = 0.037, R_F2 = 0.035). The unit cell is monoclinic C2/m, a = 22.5199 (6), b = 2.83987 (6), c = 14.8815 (4) Å, β = 105.0925 (16)°, V = 918.90 (4) Å³, Z = 2. A hitherto un

SUBMITTER: Mugnaioli E

PROVIDER: S-EPMC5134763 | biostudies-literature | 2016 Dec

REPOSITORIES: biostudies-literature

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(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.

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(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.

OmicsDI is part of the ELIXIR infrastructure

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(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.