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["Ricardo Faccio" <rfaccio@fq.edu.uy>]

Dear Lu
Here you have an example
Regards
Ricardo

Structured  Fe3 O4
Min Name    Magnetite
Title       Weak reflections in the X-ray diffraction pattern of magnetite, 
Fe3O4
Author(s)   O'Reilly, W.
Reference   Acta Crystallographica B (24,1968-38,1982)
           (1968), 24, 422-424
Unit Cell   8.396 8.396 8.396 90. 90. 90.
Vol         591.86
Z           8
Space Group F d -3 m Z
SG Number   227
Comments    Compound with mineral name: Magnetite
           The structure has been assigned a PDF number: 19-629
           Structure type : Al2MgO4
           X-ray diffraction (powder)
           At least one temperature factor missing in the paper.
Atom  #   OX   SITE      x           y           z           SOF      H
Fe   1  +2    8 a   0.125       0.125       0.125          1.         0
Fe   2  +3    16 d  0.5         0.5         0.5            1.         0
O    1  -2    32 e  0.256       0.256       0.256          1.         0


-------------------------------------------------------------------------
-----   Ing. Quím. Ricardo Faccio

 Mail: Cryssmat-Lab., Cátedra de Física, DETEMA
 Facultad de Química, Universidad de la República
      Av. Gral. Flores 2124, C.C. 1157
      C.P. 11800, Montevideo, Uruguay.
 E-mail: rfaccio@fq.edu.uy
 Phone: 598 2 9241860 Int. 109
            598 2 9290705
 Fax:    598 2 9241906
 Web:  http://cryssmat.fq.edu.uy/ricardo/ricardo.htm
----- Original Message ----- 
From: <jmlv@imr.ac.cn>
To: <forum@abinit.org>
Sent: Sunday, July 29, 2007 11:03 PM
Subject: [abinit-forum] Who knows atomic coordinates of Fe3O4?


> Dear all,
>
>    I know Fe3O4 is a reversal spinel structure and has 56 atoms in its 
> unit cell, but I don't know atomic coordinates of each atoms.
>    Does anyone know about that?
>    Reply would be appreciated. Thanks.
>
> Best wishes.
> Jianmin Lu 2007-7-29