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*data for   ICSD #44398
Coll Code   44398
Rec  Date   2000/12/16
Mod  Date   2005/10/01
Chem Name   Cobalt Chloride - Alpha
Structured  Co Cl2
Sum         Cl2 Co1
ANX         AX2
D(calc)     3.41
Title       Neutron diffraction investigations of the magnetic ordering in Fe
            Br2, Co Rr2, Fe Cl2, and Co Cl2
Author(s)   Wilkinson, M.;Cable, J.W.;Koehler, W.C.
Reference   Physical Review (1,1893-132,1963/141,1966-188,1969)
            (1959), 113, 497-507
            Journal de Physique et du Radium
            (1959), 20, 421-423
            Golden Book of Phase Transitions, Wroclaw
            (2002), 1, 1-123
Unit Cell   3.553 3.553 17.35899 90. 90. 120.
Vol         189.78
Z           3
Space Group R -3 m H
SG Number   166
Cryst Sys   trigonal/rhombohedral
Pearson     hR3
Wyckoff     c a
Red Cell    RH 3.553 3.553 6.139 73.179 73.179 60 63.259
Trans Red   1.000 0.000 0.000 / 1.000 1.000 0.000 / 0.667 0.333 0.333
Comments    Stable up to 953 K (3rd ref., Tomaszewski)
            Transition temperature = 3 K
            Neutron diffraction (powder)
            The structure has been assigned a PDF number (calculated
            powder diffraction data): 01-089-3733
            The structure has been assigned a PDF number (experimental
            powder diffraction data): 22-590
            Temperature in Kelvin: 4.2
            Structure type : CdCl2(3R)
            No R value given in the paper.
            At least one temperature factor missing in the paper.
Atom  #   OX   SITE      x           y           z           SOF      H
Co   1  +2    3 a   0           0           0              1.         0   
Cl   1  -1    6 c   0           0           0.2558(7)      1.         0   
*end for    ICSD #44398
2Â¥2009-05-04 15:17:22
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