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liliangfang: ½ð±Ò+2, лл½»Á÷ 2012-08-31 07:36:53
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*data for   ICSD #20275
CopyRight   ?2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of
            Commerce on behalf of the United States.  All rights reserved.
Coll Code   20275
Rec  Date   1980/01/01
Mod  Date   1999/11/30
Chem Name   Calcium Peroxide
Structured  Ca O2
Sum         Ca1 O2
ANX         AX2
D(calc)     3.22
Title       About the structure of calcium peroxide Ca O2
Author(s)   Kotov, V.;Reichstein, S.
Reference   Zhurnal Fizicheskoi Khimii
            (1941), 15, 1057-1058
Unit Cell   5.01 5.01 5.92 90. 90. 90.
Vol         148.59
Z           4
Space Group F 4/m m m
SG Number   139
Cryst Sys   tetragonal
Pearson     tI6
Wyckoff     e b
Red Cell    F  3.542 3.542 3.877 117.180 117.180 89.999 37.148
Trans Red   0.500 0.500 0.000 / 0.500 -0.500 0.000 / -0.500 0.000 -0.500
Comments    The structure has been assigned a PDF number (calculated
            powder diffraction data): 01-085-0514
            The structure has been assigned a PDF number (experimental
            powder diffraction data): 3-865
            Structure type : CaC2
            X-ray diffraction from single crystal
            No R value given in the paper.
            At least one temperature factor missing in the paper.
Atom  #   OX   SITE      x           y           z           SOF      H
Ca   1  +2    4 b   0           0           0.5            1.         0   
O    1  -1    8 e   0           0           0.11           1.         0   
*end for    ICSD #20275
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