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sophia1189(½ð±Ò+3): 2010-04-28 09:16
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*data for   ICSD #151762
Coll Code   151762
Rec  Date   2006/10/01
Chem Name   Lutetium Oxide
Structured  Lu2 O3
Sum         Lu2 O3
ANX         A2X3
D(calc)     9.52
Title       Structure and stability of rare-earth and transition-metal oxides
Author(s)   Marsella, L.;Fiorentini, V.
Reference   Physical Review, Serie 3. B - Condensed Matter (18,1978-)
            (2004), 69, 172103-1-172103-4
Unit Cell   10.355 10.355 10.355 90. 90. 90.
Vol         1110.33
Z           16
Space Group I a -3
SG Number   206
Cryst Sys   cubic
Pearson     cI80
Wyckoff     e d b
Red Cell    I  8.967 8.967 8.967 109.471 109.471 109.471 555.163
Trans Red   0.500 0.500 -0.500 / -0.500 0.500 0.500 / 0.500 -0.500 0.500
Comments    Generalized gradient approximation (GGA) calculation
            Structure calculated theoretically
            Structure type : Mn2O3
            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
Lu   1  +3    8 b   0.250       0.250       0.250          1.         0   
Lu   2  +3    24 d  -0.0330     0.          0.250          1.         0   
O    1  -2    48 e  0.3912      0.1521      0.3800         1.         0   
*end for    ICSD #151762
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sophia1189(½ð±Ò+2): 2010-04-28 09:16
µÛ·ò(½ð±Ò+1):лл»ØÌû½»Á÷ 2010-04-28 10:30
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