[Pw_forum] Can anyone tell me the structure of In2S3

[Miguel Martínez Canales]

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)




-- 
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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
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