[Pw_forum] Can anyone tell me the structure of In2S3

[Daya sagar]

Dear Michael,
   
     Thanks a lot for the help regarding the structure for In2S3.
   
  Thank you.
   
  Regards,
  Dayasagar.

Miguel Martínez Canales <wmbmacam at lg.ehu.es> 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)




-- 
----------------------------------------
Miguel Martínez Canales
Dto. Física de la Materia Condensada
UPV/EHU
Facultad de Ciencia y Tecnología
Apdo. 644
48080 Bilbao (Spain)
Fax: +34 94 601 3500
Tlf: +34 94 601 5437
----------------------------------------

"If you have an apple and I have an apple and
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