Nandini,
I suggest you look at the paper Rietveld refinement guidelines, J. Appl. Cryst.
(1999) 32, 36-50.
Bob Von Dreele
-Original Message-
From: Nandini Devi Radhamonyamma [mailto:[EMAIL PROTECTED]
Sent: Thu 2/26/2004 8:38 AM
To: [EMAIL PROTECTED]
Thank you.
In parallel with single
I tend to use bond lengths to check refinements. If bond lengths - and
thermal parameters too - aren't physically reasonable, it can mean that the
structure is correct but the refinement is bad, that the structure is
somehow wrong, or the atom assignments are wrong.
Bond-valence sums are great
