AMoO4 compounds

From: "Andy W. J. Smith" <A.W.J.Smith-0at0-reading.ac.uk>
Subject: AMoO4 compounds
Date: Wed, 19 Oct 1994 16:50:05 +0100 (BST)

Can anyone point me in the direction of any work on the tunstate or
molybdate compounds. These are a series of materials including
A=Co,Ni,Mn in the general formula AMoO4. There are several related
structure types including wulframite,scheelite and CoMoO4 (Smith
1969). Any suitable parameters for MM, be it LJ-6-12,
Buckingham (with or without shell model) would be helpful.
Is anyone else working on these types of compounds?
Can anyone recall any relevent papers?
Currently i am tring to reproduce the crystal structures. I then
want to conduct some dynamics calculations to determine high temperature
cation sites and compare the results with exp. data I have collected.
ANY relevent thoughts appreciated.
thanks,
ANDY
-0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0-
Andrew W.J. Smith
Department of Chemistry,
University of Reading
Whiteknights,
Reading, Phone: 44 (0)734-875123 ex 7441 or 4195
Berkshire, Email: A.W.J.Smith-0at0-rdg.ac.uk
RG6 2AD, UK. Fax : 44 (0)734- 311610
* email is most likely to get to me first *
-0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0--0at0-