You may be lucky enough that bond distance and angle constraints will
be sufficient for your purposes. Do not be afraid to weight them very
highly, so that they will have significant leverage on the
refinement. If your cation is complex, the constraints may not be
enough to keep the geometr
Dear friends,
I am new to the community and had a question for GSAS users.
I have a powder diffraction data for a zeolite + template (organic
molecule) system. I would like to know the best way to represent the
molecule for refinement purposes. I currently include it as part of a
phase along wit
