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*data for   ICSD #107713
Coll Code   107713
Rec  Date   2006/10/01
Chem Name   Aluminium Nickel (3/2)
Structured  Al3 Ni2
Sum         Al3 Ni2
ANX         N2O3
D(calc)     4.14
Title       The crystal structures of Ni2 Al3 and Ni Al3
Author(s)   Bradley, A.J.;Taylor, A.
Reference   Journal of the Less-Common Metals
            (1982), 87, 117-133
Unit Cell   4.219(1) 4.219 5.161(1) 90. 90. 120.
Vol         79.56
Z           1
Space Group P -3 m 1
SG Number   164
Cryst Sys   trigonal/rhombohedral
Pearson     hP5
Wyckoff     d2 a
Red Cell    P  4.219 4.219 5.161 90 90 120 79.558
Trans Red   1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments    AE: Al1: 12: Al6 Ni6; Al2: 11: Al6 Ni5; Ni: 11: Al8 Ni3
            The structure has been assigned a PDF number: 14-648
            Structure type prototype : Al3Ni2
            Structure type : Al3Ni2
            X-ray diffraction (powder)
            Calculated density unusual but tolerable.
            No R value given in the paper.
            At least one temperature factor missing in the paper.
Atom  #   OX   SITE      x           y           z           SOF      H
Al   1  +0    1 a   0           0           0              1.         0   
Al   2  +0    2 d   0.3333      0.6667      0.648          1.         0   
Ni   1  +0    2 d   0.3333      0.6667      0.149          1.         0   
*end for    ICSD #107713
2Â¥2008-07-07 20:33:46
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Unit Cell   4.219(1) 4.219 5.161(1) 90. 90. 120.
Vol         79.56
Z           1
Space Group P -3 m 1
4Â¥2008-07-07 21:16:22
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