If you think it’s plausible that the crystal is expanded or contracted isotropically and homogeneously, then it’s a model worth trying. It’s usually my first model for fitting just about any crystalline material. Often, the resulting fits are not good, and then I have to try other models. But sometimes, particularly when the differences from my model structure are small, it works fairly well.
In terms of the criteria I described herehttps://www-ssrl.slac.stanford.edu/conferences/workshops/srxas2011/presentat... and elsewhere, it has the advantage of “simplicity” under criterion 4. Whether or not it produces a good fit under the other criteria is, of course, something that you have to find out for each system.
—Scott Calvin
Sarah Lawrence College
On Aug 2, 2016, at 6:27 AM, woschangqiang