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*data for   ICSD #52642
Coll Code   52642
Rec  Date   2003/04/01
Chem Name   Aluminium Titanium Nitride (1/3/1)
Structured  Al Ti3 N
Sum         Al1 N1 Ti3
ANX         NOP3
D(calc)     4.4109
Title       The ternary system titanium-aluminum-nitrogen
Author(s)   Schuster, J.C.;Bauer, J.
Reference   Journal of Solid State Chemistry
            (1984), 53, 260-265
Unit Cell   4.1120 4.1120 4.1120 90. 90. 90.
Vol         69.538
Z           1
Space Group P m -3 m
SG Number   221
Cryst Sys   cubic
Pearson     cP5
Wyckoff     c b a
Red Cell    P  4.112 4.112 4.112 90 90 90 69.528
Trans Red   1.000 0.000 0.000 / 0.000 1.000 0.000 / 0.000 0.000 1.000
Comments    Al,N occupation uncertain
            The structure has been assigned a PDF number: 37-1140
            Structure type : CaTiO3
            X-ray diffraction (powder)
            No R value given in the paper.
            At least one temperature factor missing in the paper.
Atom  #   OX   SITE      x           y           z           SOF      H
Ti   1  +0    3 c   0           0.5         0.5            1.         0   
Al   1  +0    1 a   0           0           0              1.         0   
N    1  +0    1 b   0.5         0.5         0.5            1.         0   
*end for    ICSD #52642
2Â¥2008-07-06 14:55:50
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