Figure 2
Estimation of optimal weights for Zn data refinement. Three slices through the quaternary tetrahedron for fixed values of the goodness-of-fit criterion (a) are plotted, resulting in three ternary plots (b–d) showing the weighted sum of deviation ∊ from published results [equations (6) and (7)]. The colour scale was cut off at a maximum ∊ of 75. The position of the absolute minimum is designated by a small black circle in (b). |