Figure 7
Powder charge-flipping electron density maps for TNU-9 generated (a) using XPD data alone, (b) using XPD data and five PED patterns (combined weak reflection elimination and phase retrieval), and (c) using the map in (b) as a seed for a second pCF run. The framework structure of calcined TNU-9 is overlaid for comparison (Si: yellow; O: red). |