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• W2318674110 abstract "The basic structural chemistry of O3–LixCoO2 (0.25 ≤ x ≤ 1) oxides is reviewed. Crystal chemical details of selected compositions and group–subgroup schemes are discussed with respect to phase transitions upon electrochemical or chemical deintercalation of the lithium atoms. Furthermore, the theoretical crystal structures of LixCoO2 supercells (x = 0.75, 0.5, 0.33, and 0.25) are reported for the first time based on the combination of transmission electron microscopy (TEM) and X-ray (XRD) or neutron diffraction (ND) experiments. Li0.75CoO2 and Li0.25CoO2 supercells crystallize with the space group R3̅m, a4 = 5.6234 Å and 5.624 Å, and c4 = 14.2863 Å and 14.26 Å, respectively, whereas the Li0.5CoO2 supercell crystallizes with the space group P21/m, a7 = 4.865 Å, b7 = 2.809 Å, c7 = 9.728 Å, and β7 = 99.59°. The Li0.33CoO2 supercell may crystallize in different unit cells (hexagonal or orthorhombic or monoclinic). For Li0.75CoO2, the TEM superstructure reflections are due to only one type of lithium and vacancy ordering within the lithium layers; however, for x = 0.5, the superstructure reflections are due to an intergrowth of two Li0.5CoO2 monoclinic structures (P2/m, a5 = 4.865(3) Å, b5 = 2.809(3) Å, c5 = 5.063(3) Å, β5 = 108.68(5)°) with the lithium and vacancies alternating the 1g and 1f atomic positions, in two successive layers, along the c direction. For Li0.33CoO2, in most cases, the Li and vacancy ordering are similar to Li and Mn ordering in the Li2MnO3 structure. The phase transition mechanisms from O3–LiCoO2 to O3–Li0.25CoO2 and from O3–LiCoO2 to spinel–Li0.5CoO2 have been determined, and the structural relationship between O3–LiCoO2 and Li2MnO3 has been discussed in detail." @default.
• W2318674110 created "2016-06-24" @default.
• W2318674110 creator A5001864383 @default.
• W2318674110 creator A5023087031 @default.
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• W2318674110 date "2013-09-09" @default.
• W2318674110 modified "2023-10-17" @default.
• W2318674110 title "Phase Transition Mechanisms in Li_<i>x</i>CoO₂ (0.25 ≤ <i>x</i> ≤ 1) Based on Group–Subgroup Transformations" @default.
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• W2318674110 doi "https://doi.org/10.1021/cm401942t" @default.
• W2318674110 hasPublicationYear "2013" @default.
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