Figure 4
R.m.s. Cartesian displacements, without H atoms, upon energy-minimization for the disordered structures with the unit cell free. In dark grey, the 225 crystal structures from the reference test set. Hatched bars correspond to the lower of the two values; white bars to the higher value (see text). The hatched and the white bars have been multiplied by a factor of two for clarity. Scales for the x and y axes as for Fig. 2. |