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• W2262181592 abstract "Li-oxide garnets such as Li7La3Zr2O12 (LLZO) are among the most promising candidates for solid-state electrolytes to be used in next-generation Li-ion batteries. The garnet-structured cubic modification of LLZO, showing space group Ia-3d, has to be stabilized with supervalent cations. LLZO stabilized with Ga3+ shows superior properties compared to LLZO stabilized with similar cations; however, the reason for this behavior is still unknown. In this study, a comprehensive structural characterization of Ga-stabilized LLZO is performed by means of single-crystal X-ray diffraction. Coarse-grained samples with crystal sizes of several hundred micrometers are obtained by solid-state reaction. Single-crystal X-ray diffraction results show that Li7–3xGaxLa3Zr2O12 with x > 0.07 crystallizes in the acentric cubic space group I-43d. This is the first definite record of this cubic modification for LLZO materials and might explain the superior electrochemical performance of Ga-stabilized LLZO compared to its Al-stabilized counterpart. The phase transition seems to be caused by the site preference of Ga3+. 7Li NMR spectroscopy indicates an additional Li-ion diffusion process for LLZO with space group I-43d compared to space group Ia-3d. Despite all efforts undertaken to reveal structure–property relationships for this class of materials, this study highlights the potential for new discoveries." @default.
• W2262181592 created "2016-06-24" @default.
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• W2262181592 date "2016-03-02" @default.
• W2262181592 modified "2023-10-16" @default.
• W2262181592 title "Crystal Structure of Garnet-Related Li-Ion Conductor Li_{7–3<i>x</i>}Ga_<i>x</i>La₃Zr₂O₁₂: Fast Li-Ion Conduction Caused by a Different Cubic Modification?" @default.
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• W2262181592 doi "https://doi.org/10.1021/acs.chemmater.6b00038" @default.
• W2262181592 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4806310" @default.
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