- heterocompound

Uncle Al UncleAl0 at hate.spam.net
Mon Oct 21 08:14:35 EST 2002


Venkataraman Kabaleeswaran wrote:
> 
> How could I obtain the coordinates and cns topology/parameter
> for tellurate (Te(O4)(-2)).
> 
> It is not available in HIC UP or PDB.

Tellurate almost invariably consists of TeO6(2-) octahedra.  MgTeO4 is
isostructural with MgWO4 and contains TeO6 octahedra.  BaTeO4 is not
isostructural with sulfate.  One possible reference to a TeO4 unit
*might* be

Rb6(TeO4)(TeO5), Hexarubidium tetraoxotellurate pentaoxotellurate
Wisser Th, Hoppe R, Zeitschrift fuer Anorganische und Allgemeine
Chemie 584 105-113 (1990) 

space group C2/c (#15)
a=12.075(7) b=12.663(5) c=11.053(6) 
alpha=90  beta=123.1(1)  gamma=90 
V=1415.8 Z=4 D=4.15
R-value = 0.095

Atom Nr Ox     Wy  ---- x ----    ---- y ----    ---- z ----
Te    1 +6.    4e  0.5000         0.6459(1)      0.2500               
Te    2 +6.    4e  0.5000         0.8739(1)      0.7500               
Rb    1 +1.    8f  0.7105(2)      0.3878(2)      0.2392(2)            
Rb    2 +1.    8f  0.8531(2)      0.1463(1)      0.4729(2)            
Rb    3 +1.    8f  0.5995(2)      0.9003(1)      0.4774(2)            
O     1 -2.    4e  0.5000         0.2716(12)     0.2500               
O     2 -2.    8f  0.3933(9)      0.1287(9)      0.0433(11)           
O     3 -2.    8f  0.6241(10)     0.0430(10)     0.2448(14)           
O     4 -2.    8f  0.4514(14)     0.4381(12)     0.5978(16)           
O     5 -2.    8f  0.3634(13)     0.7303(12)     0.2174(16)
          
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