Fig. 5: Li diffusion pathways in Li_3.3SnS_3.3Cl_0.7.

a Frequency dependence of the NMR SLR T_1ρ⁻¹ rates at 425 K for one-dimensional, two-dimensional and three-dimensional diffusion models, as a function of spin-lock frequencies ω₁/2π of 15 (red triangle), 45 (green inverted triangle), 80 kHz (purple diamond) and average Li⁺ jump times τ from T_1ρ⁻¹ maxima (Fig. 4c). The black lines correspond to linear fits with regression factor r² of 0.99 for 1D and 0.98 for 2D diffusion. Data for other temperatures are given in Supplementary Fig. 17. Errors in the spin-lock frequencies ω₁ are estimated to be 10% while the errors in the correlation time τ are extracted from the fit in Supplementary Fig. 16. Errors in T_1ρ⁻¹ are obtained from the outputs of the fits to Supplementary Equation 3. b Nuclear density reconstructed by the maximum entropy method and highlighted potential diffusion pathways (Path 1 (1D): green arrow, Path 2 (3D): gray arrows and Path 3 (2D): blue arrows). c Nuclear density in the (110) lattice plane and d estimated one particle potential (OPP) along the two diffusion pathways in this plane (Path 1: green line; Path 2: gray line), energy barriers are indicated on the plot in eV. e Nuclear density in the (001) lattice plane and f OPP estimated along Path 3 in this plane. The dashed red line on d and f corresponds to the maximum OPP that can be calculated given the background level of the nuclear density. Density levels on b, c, e are plotted in the [-0.02 fm Å⁻³; 0 fm Å⁻³] range to identify scattering from Li.