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zhleile200(金币+1):谢谢，尽管不是我要的，还是非常感谢！ 2010-08-24 19:06:06
ICSD里只有Ba2 Pb O4，供你参考
*data for ICSD #66543
Coll Code 66543
Rec Date 1994/01/19
Chem Name Dibarium Lead(IV) Oxide
Structured Ba2 Pb O4
Sum Ba2 O4 Pb1
ANX AB2X4
D(calc) 7.42
Title Time-of-flight powder neutron diffraction study of the structure
ofBa2PbO4
Author(s) Rosseinsky, M.J.;Prassides, K.
Reference Acta Crystallographica C (39,1983-)
(1991), 47, 2519-2522
Unit Cell 4.29650(2) 4.29650(2) 13.2285(1) 90. 90. 90.
Vol 244.2
Z 2
Space Group I 4/m m m
SG Number 139
Cryst Sys tetragonal
Pearson tI14
Wyckoff e2 c a
R Value .026
Red Cell I 4.296 4.296 7.278 107.166 107.166 89.999 122.098
Trans Red 1.000 0.000 0.000 / 0.000 -1.000 0.000 / -0.500 0.500 -0.500
Comments Neutron diffraction (powder)
The structure has been assigned a PDF number (calculated
powder diffraction data): 01-079-1543
Rietveld profile refinement applied
Temperature in Kelvin: 5
Structure type : K2MgF4
At least one temperature factor is implausible or
meaningless but agrees with the value given in the paper.
Atom # OX SITE x y z SOF H ITF(U)
Ba 1 +2 4 e 0 0 0.3554(1) 1. 0 0.39(5)
Pb 1 +4 2 a 0 0 0 1. 0 0.12(4)
O 1 -2 4 e 0 0 0.1619(1) 1. 0 0.84(6)
O 2 -2 4 c 0 0.5 0 1. 0 0.56(5)
*end for ICSD #66543 |
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