I just recalled a more directly relevant
paper for your question: M.L. Foo et al., Phys. Rev. Letters 92, 247001
(2004), published about six weeks ago. That paper is much more about
electronic properties through the phase diagram as a function of x, but
it will help get you oriented, and has some
Dear all,
I'm using the EXPGUI software to refine the structure of a monoclinic phase
of ice. (ice V) The diffractograms were recorded on the D2B instrument at the
ILL. As a result of this study, we would like to see changes in the occupancies
of the deuteria positions.
Due to the low
Dear Christoph (and others),
The constraints within GSAS are limited to pairs of parameters. You describe a
circumstance in which the total unit cell contents from a multiple atom sites is known
from stoichiometry; this is best handled with a restraint. The restraints in GSAS
are not accessible
Queries on available graphics software for comparing similar structures
have been pseudo-common on the sci.techniques.xtallography newsgroup. So
I thought it might be useful to post about a new feature in the CrystMol
software for Mac and MS-Windows by David Duchamp:
http://www.crystmol.com/
