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Atom  #   OX   SITE      x           y           z           SOF      H        ITF(U)   
V    1  +3    4 e   0.25103     0.45935     0.10936        1.         0          0.0060
V    2  +3    4 e   0.75307     0.47451     0.39038        1.         0          0.0060
P    1  +5    4 e   0.1069(19)  0.0996(18)  0.1586(15)     1.         0      0.0037(19)
P    2  +5    4 e   0.6078(18)  0.1149(19)  0.3552(15)     1.         0      0.0037(19)
P    3  +5    4 e   0.0395(17)  0.2509(23)  0.4885(14)     1.         0      0.0037(19)
O    1  -2    4 e   0.9276(17)  0.1163(18)  0.1463(13)     1.         0       0.0083(8)
O    2  -2    4 e   0.1482(18)  0.9769(17)  0.2404(14)     1.         0       0.0083(8)
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lixiaomin3

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ÒýÓûØÌû:
4Â¥: Originally posted by emilyoyang at 2012-11-19 23:13:54
ÒÀ´ÎΪ Atom£¬Atom Number of each element£¬oxidation state(OX)£¬site occupation(SITE)£¬xyz position£¬site occupation factor(SOF) , bonded H-atoms(H), isotropic temperature factor (ITF(U))

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5Â¥2012-11-21 14:48:40
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fzx2008: ½ð±Ò+1, лл½»Á÷£¡ 2012-11-19 18:43:54
lixiaomin3: ½ð±Ò+2, ¡ïÓаïÖú 2012-11-21 14:13:25
xyzÊÇÔ­×ÓµÄλÖÃ×ø±ê  +3 +5 -2ÊÇÔ­×ӵϝºÏ¼Û Ï£Íû¶ÔÄãÓÐËù°ïÖú
Better Late Than Never
2Â¥2012-11-19 18:35:19
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3Â¥2012-11-19 18:40:23
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emilyoyang

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fzx2008: ½ð±Ò+2, ллָ½Ì£¡ 2012-11-19 23:39:21
lixiaomin3: »ØÌûÖö¥ 2012-11-21 14:13:02
ÒÀ´ÎΪ Atom£¬Atom Number of each element£¬oxidation state(OX)£¬site occupation(SITE)£¬xyz position£¬site occupation factor(SOF) , bonded H-atoms(H), isotropic temperature factor (ITF(U))
4Â¥2012-11-19 23:13:54
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
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