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*data for   ICSD #87123
Coll Code   87123
Rec  Date   2000/07/15
Chem Name   Copper Oxide
Structured  Cu O
Sum         Cu1 O1
ANX         AX
D(calc)     6.51
Title       X-ray powder diffraction ab initio structure solution of materials
            from solid state synthesis: the copper oxide case
Author(s)   Massarotti, V.;Capsoni, D.;Bini, M.;Altomare, A.;Moliterni, A.G.G.
Reference   Zeitschrift fuer Kristallographie (149,1979-)
            (1998), 213, 259-265
Unit Cell   4.683(1) 3.424(1) 5.129(1) 90. 99.44(2) 90.
Vol         81.13
Z           4
Space Group C 1 2/c 1
SG Number   15
Cryst Sys   monoclinic
Pearson     mS8
Wyckoff     e c
R Value     0.021
Red Cell    C  2.900 2.900 5.129 82.391 82.391 72.345 40.564
Trans Red   -0.500 0.500 0.000 / -0.500 -0.500 0.000 / 0.000 0.000 1.000
Comments    Rietveld profile refinement applied
            X-ray diffraction (powder)
            At least one temperature factor missing in the paper.
Atom  #   OX   SITE      x           y           z           SOF      H
Cu   1  +2    4 c   0.25        0.25        0              1.         0   
O    1  -2    4 e   0           0.417(1)    0.25           1.         0   
*end for    ICSD #87123
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