Stanislav Ferdov wrote:
Dear All,
I am trying to refine a phase that has a structure analogue with different
chemical composition. The problem is that using the published atomic
coordinates one cannot get a proper refinement (mismatch in the diffraction
intensities). When I process the data and solve the structure by direct methods
I get atomic coordinates that are suitable for a good a Rietveld refinement
(the structure is the same). If somebody has explanation of this problem I will
be very grateful to hear it.
Many thanks in advance.
You really should give some details. Does the space group have two
possible origins? Etc, etc....
Larry
