Fig. 4

Calculated 51V isotropic chemical shift. Calculated 51V isotropic chemical shift (δISO) and quadrupolar coupling constants (|CQ|) for isolated VO4 tetrahedra with different number of Sr/Bi atom neighbors in their second coordination spheres and V2O7 dimers in Sr0.125Bi0.875VO3.9375. Black and blue lines correspond to histograms of calculated δISO and (|CQ|), respectively