Analyses of 7Li chemical shifts for LiMPO4 (M = Mn, Fe, Co, Ni) computed for both XRD and optimized (OPT) structures when using 25% EXX admixture (PBE0, PBE25) in the computation of the HFC tensors. g-Tensors and D-tensors obtained at the NEVPT2 level and orbital shielding at the PBE level. Shielding converted to shifts relative to aq. lithium chloride (LiCl). Reproduced from ref. 80 with permission from American Chemical Society, Copyright 2019.