Re: Crystallographic data

Alan Hewat, ILL Grenoble ( (no email) )
Fri, 20 Mar 1998 14:26:05 +0200

>finding structural and crystallographic data for some coumpounds -

>From ICSD (http://www.ill.fr/icsd). Also see the metals database

Fe3Si ??
N Fe3Ge Turbil J P, Billiet Y, Michel A (1969) C.R.Acad.Sci.,Ser.C 269 P. 309
C 5.1690 5.1690 4.2220 90.0000 90.0000 120.0000
S GRUP P 63/M M C
A Fe1 0.839 0.678 0.25
A Ge1 0.3333 0.6667 0.25

N Fe2Si Kudielka H (1977) Z.Kristallogr. 145 P. 177-189
C 4.0520 4.0520 5.0860 90.0000 90.0000 120.0000
S GRUP P -3 M
A Fe1 0.0 0.0 0.0
A Fe2 0.0 0.0 0.5
A Fe3 0.3333 0.6667 0.78
A Si1 0.3333 0.6667 0.28

N FeSi (high pressure) Wood I G, David W I F, Hull S, Price G D (1996) J.Appl.Cryst. 29 P. 215.
C 4.4964 4.4964 4.4964 90.0000 90.0000 90.0000
S GRUP P 21 3
A Fe1 0.1359 0.1359 0.1359
A Si1 0.8419 0.8419 0.8419

N FeSi2 Dusausoy Y, Protas J (1971) Acta Cryst. B 27 P. 1209
C 9.8630 7.7910 7.8330 90.0000 90.0000 90.0000
S GRUP C M C A
A Fe1 0.2146 0.0 0.0
A Fe2 0.5 0.3086 0.1851
A Si1 0.1282 0.2746 0.0512
A Si2 0.3727 0.0450 0.2261

AlFe ??

Alan Hewat, ILL Grenoble, FRANCE <hewat@ill.fr> tel (33) 4.76.20.72.13
ftp://ftp.ill.fr/pub/dif fax (33) 4.76.48.39.06 http://www.ill.fr/dif/