One of the reasons could be preferred orientation. If this is the case, one
could derive orientation axis from the ellipsoids.
Peter Zavalij
X-ray Crystallographic Center
University of Maryland
College Park, MD
Office: (301)405-1861
Lab: (301)405-3230
Fax: (301)314-9121
-Original Message--
All,
I am refining some TOF powder neutron diffraction data (GEM Xpress)
using GSAS, when I refine with isotropic displacement parameters I get
reasonable and consistent values. However, when I refine using
anisotropic displacement parameters the equivalent isotropic calculated
from these are almo
