Max Planck Institute for Solid State Research, Heisenbergstr. 1, 70569 Stuttgart, Germany.
Phys Chem Chem Phys. 2013 Jul 28;15(28):11620-2. doi: 10.1039/c3cp51985f. Epub 2013 Jun 14.
Tetragonal Li10GeP2S12 (LGPS) is the best solid Li ion conductor known to date. So far, the structure of the electrolyte was only determined from powder diffraction and Rietveld refinement. Here, we present the first single-crystal structure analysis of the tetragonal LGPS structure. The reported structure is largely verified. However, an additional Li position is clearly identified which might have a significant impact on the Li ion dynamics. All Li positions are partially occupied--a prerequisite for Li superionic conductors--and form a network of interconnected Li diffusion pathways. Therefore, we suggest that Li diffusion in this record solid electrolyte is less anisotropic than previously claimed.
四方相 Li10GeP2S12（LGPS）是目前已知的最佳固态锂离子导体。到目前为止，电解质的结构仅通过粉末衍射和 Rietveld 精修来确定。在这里，我们首次对四方相 LGPS 结构进行了单晶结构分析。所报道的结构得到了很大程度的验证。然而，我们清楚地识别出了一个额外的 Li 位置，这可能对 Li 离子动力学有重大影响。所有的 Li 位置都部分占据，这是 Li 超离子导体的前提条件，并形成了相互连接的 Li 扩散途径网络。因此，我们认为与之前的说法相比，在这种记录固体电解质中 Li 的扩散各向异性更小。
