Fig. 4

Local cation cluster and macroscopic Li connectivity analysis based on MC-derived structures for LMTO and LMZO at 1000 °C. Each MC structure contains 480 cation sites, of which 288 are decorated with Li ions. a Occurrence of various tetrahedral clusters (0-TM, 1-TM, 2-TM) in LMTO (blue) and LMZO (red) as compared to the random limit. b Connectivity plots of LMZO and LMTO showing the fraction of Li content in networks of at least a certain number of Li sites. A Li network is defined as all the Li sites that are inter-connected through 0-TM channels. Each plot is averaged over 600 sampled MC structures. The result for a random cation distribution with the same Li to TM ratio is also plotted as a reference. The plots are truncated at the percolating Li contents (marked by dots) and extended to infinity for LMTO and the random case. LMZO is not percolating. c Representative MC structures for LMTO and LMZO. Li ions are labeled with green spheres and 0-TM connected Li sites are bridged with green bonds