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jjqq2008(½ð±Ò+10):лл£¡ 2010-04-14 15:30
*data for   ICSD #15399
Coll Code   15399
Rec  Date   1980/01/01
Mod  Date   2000/07/15
Chem Name   Copper Sulfate(VI)
Structured  Cu (S O4)
Sum         Cu1 O4 S1
ANX         ABX4
Min Name    Chalcocyanite
D(calc)     3.91
Title       A note on the crystal structure of anhydrous copper sulphate
Author(s)   Rao, B.R.
Reference   Acta Crystallographica (1,1948-23,1967)
            (1961), 14, 321-322
Unit Cell   8.39 6.69 4.83 90. 90. 90.
Vol         271.1
Z           4
Space Group P n m a
SG Number   62
Cryst Sys   orthorhombic
Pearson     oP24
Wyckoff     d c3 a
R Value     .143
Red Cell    P  4.83 6.69 8.39 90 89.999 89.999 271.104
Trans Red   0.000 0.000 -1.000 / 0.000 1.000 0.000 / 1.000 0.000 0.000
Comments    R-value for (h0l)-data, R(hk0)=0.165
            Compound with mineral name: Chalcocyanite
            The structure has been assigned a PDF number: 15-775
            At least one temperature factor missing in the paper.
Atom  #   OX   SITE      x           y           z           SOF      H
Cu   1  +2    4 a   0           0           0              1.         0   
S    1  +6    4 c   0.185       0.25        0.445          1.         0   
O    1  -2    4 c   0.141       0.25        0.755          1.         0   
O    2  -2    4 c   0.375       0.25        0.439          1.         0   
O    3  -2    8 d   0.129       0.069       0.307          1.         0   
*end for    ICSD #15399
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