Subject: AMoO4 compounds

From: "Andy W. J. Smith" <[email-masked]>
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

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                          Andrew W.J. Smith                            

 Department of Chemistry,                                 
 University of Reading               
 Whiteknights,                      
 Reading,                         Phone: 44 (0)734-875123 ex 7441 or 4195
 Berkshire,                       Email:  [email-masked]
 RG6 2AD, UK.                     Fax  : 44 (0)734- 311610              

             *  email is most likely to get to me first *
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