Figure 4
The vicinity of the A = (K0.5Sm0.5) position in the structural model with randomly distributed K and Sm atoms. The x1–x4, x2–x4 and x3–x4 sections are presented for electron density (top) and residual electron density (bottom) maps. Full, dashed and dotted lines show positive, zero and negative values of the electron density. The step between lines is 10 and 0.5 e Å−3 for electron and residual electron density, respectively. The central lines correspond to calculated displacive modulation functions. |