Figure 2
(a) An ellipsoid (50% probability) plot for the major component of the mono-selenide model. (b) A plot of |Fobs| vs |Fcalc| values for the mono-selenide model. Note the extent of scatter in the plot. (c) A difference-electron density map reveals positive (green) electron density at the chalcogen site and negative (red) contours at the phosphorus sites. Small peaks within the positive density are represented by coloured dots. The single Se atom in trial 1 is split with occupancies of 0.526 (2) and 0.474 (2) over the two chalcogen sites. |