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kmw.8668

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本人急需关于计算WB4的文献,劳烦各位知道的大虾帮帮忙,多谢了!好的话可追加金币。
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211985:mad:

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kmw.8668(金币+8):多谢大虾!只是不要用“北大价码”了!还有就是能否把 title 那篇文章给我分享下阿,我的邮箱:kmw.8668@163.com 2010-09-29 09:40:56
小木虫:)(金币+10):3q 2010-09-29 18:27:22
*data for   ICSD #43193
Title       Composition and crystallographic data for the highest boride of  tungsten
Author(s)   Romans, P.A.;Krug, M.P.
Reference   Acta Crystallographica (1,1948-23,1967) (1966), 20, 313-315

Unit Cell   5.200(1)  5.2  6.34   埃    阿尔法90. 北大90. 价码120.
Vol         148.47   埃^3
Z           4
Space Group   P 63/m m c
SG Number     194
Cryst Sys        Hexagonal

Comments   
B contents may be higher (up to W B5) The structure has been assigned a PDF number (calculated powder diffraction data): 01-089-2543
The structure has been assigned a PDF number (experimental powder diffraction data): 19-1373
           
Atom  #  OX   SITE     x             y               z           
W      1    0      2 c    0.333     0.6667     0.25            
W      2    0      2 b    0            0              0.25            
B       1    0      12 i    0.333     0              0               
B       2    0       4 f    0.333     0.6667     0.615

[ Last edited by 211985 on 2010-9-28 at 15:02 ]
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