Dear Michael,

Michael Mehl escribi?:
> Well, this would work, if _I_ knew the structure of In2S3.  If someone 
> figures it out, send the structural information to my work address 
> (mehl at dave.nrl.navy.mil) and I'll put it on the web page.

The ICSD is a good place to look for structures. It requires subscription. 
However, the two structures of In2 S3 listed in their database are:

a) Revue de Chimie Minerale (1987) 24, 10-21
Space group FD3-MZ (227)
Lattice parametres:
10.774(2), 10.774(2), 10.774(2), 90., 90., 90

Atomic positions:
In1 (8a)        0.125   0.125   0.125
In2 (16d)       0.5     0.5     0.5
S1 (32e)        0.2576(1)       0.2576(1)       0.2576(1)
        
b) Physik (2004) 350, e383-e385
Space group I41/AMDZ (141)
Lattice parametres:
7.6172(6), 7.6172(6), 32.3307(8), 90., 90., 90.

Atomic positions:
In1 (8c)        0.      0.      0.
In2 (16h)       0.      -0.0201(2)      0.3324(1)
In3 (8e)        0.      0.250   0.2044(1)
S1 (16h)        0.      -0.016(1)       0.2457(3)
S2 (16h)        0.      0.006(1)        0.0859(3)
S3 (16h)        0.      0.0333(9)       0.4164(3)




-- 
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Miguel Mart?nez Canales
Dto. F?sica de la Materia Condensada
UPV/EHU
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