[Pw_forum] Can anyone tell me the structure of In2S3

[Michael Mehl]

Thanks to Miguel's help, beta-In2S3 is now online at

http://cst-www.nrl.navy.mil/lattice/struk/bIn2S3.html

and that's probably enough of this for this list.  Please send requests 
for further entries into the Crystal Structures database to the address 
at the web-site, along with enough information so that I can actually 
reconstruct the unit cell.  And thank you, Miguel.


Miguel Martínez Canales wrote:
> Dear Michael,
> 
> Michael Mehl escribió:
>> 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)
> 
> 
> 
> 


-- 
					mjm
					http://hawknotes.blogspot.com/