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jwosnji

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注册: 2008-08-31
专业: 物理无机化学

[求助] 求助标定电子衍射花样

由于没有材料和晶体的基础，刚开始自学晶体方面的知识，求大家帮帮忙，，帮标定下这两种物质！

XRD结果显示是Ca2Ta2O7和CaTa2O6两个晶相，但是空间点群unknown.
PDF卡片-Ca2Ta2O7
(A)    I(f) I(v)  h  k  l  n^2  2-Theta Theta  1/(2d) 2pi/d
6.380 10.0 5.0  1  0  0       13.869 6.934  0.0784  0.9848
6.050 50.0 25.0  0  0  3       14.629 7.315  0.0826  1.0385
5.220 15.0 9.0  1  0  2       16.971 8.486  0.0958  1.2037
4.380 8.0 5.0  1  0  3       20.258  10.129  0.1142  1.4345
3.693 5.0 4.0  1  0  4       24.078  12.039  0.1354  1.7014
3.675 15.0 12.0  1  1  0       24.198  12.099  0.1361  1.7097
3.607 5.0 4.0  1  1  1       24.661  12.331  0.1386  1.7419
3.409 7.0 6.0  1  1  2       26.118  13.059  0.1467  1.8431
3.140 25.0 24.0  2  0  1       28.401  14.200  0.1592  2.0010
3.140 25.0 24.0  1  1  3       28.401  14.200  0.1592  2.0010
3.021 80.0 80.0  0  0  6       29.544  14.772  0.1655  2.0798
3.005  100.0  100.0  2  0  2       29.705  14.853  0.1664  2.0909
2.855 2.0 2.0  1  1  4       31.305  15.652  0.1751  2.2008
2.607 50.0 58.0  2  0  4       34.371  17.185  0.1918  2.4101
2.409 2.0 2.0  2  1  0       37.296  18.648  0.2076  2.6082
2.388 3.0 4.0  2  1  1       37.636  18.818  0.2094  2.6311
2.331 5.0 6.0  2  1  2       38.592  19.296  0.2145  2.6955
2.331 5.0 6.0  1  1  6       38.592  19.296  0.2145  2.6955
2.125 6.0 8.0  3  0  0       42.506  21.253  0.2353  2.9568
2.067 2.0 3.0  3  0  2       43.759  21.880  0.2419  3.0398
2.013 6.0 9.0  0  0  9       44.996  22.498  0.2484  3.1213
1.846 10.0 16.0  2  0  8       49.322  24.661  0.2708  3.4035
1.839 60.0 98.0  2  2  0       49.502  24.751  0.2718  3.4151
1.760 10.0 17.0  2  2  3       51.890  25.945  0.2840  3.5688
1.737 4.0 7.0  3  1  2       52.642  26.321  0.2878  3.6168
1.737 4.0 7.0  3  0  6       52.642  26.321  0.2878  3.6168
1.587 3.0 6.0  4  0  1       58.053  29.027  0.3150  3.9579
1.571 40.0 76.0  2  2  6       58.693  29.347  0.3181  3.9977

PDF卡片-CaTa2O6
d(A)    I(f) I(v)  h  k  l  n^2  2-Theta Theta  1/(2d) 2pi/d
4.492 4.0 3.0  1  1  1 3 19.748 9.874  0.1113  1.3988
3.890  100.0 78.0  2  0  0 4 22.842  11.421  0.1285  1.6152
2.751 91.0  100.0  2  2  0 8 32.520  16.260  0.1818  2.2840
2.346 2.0 3.0  3  1  1 11 38.336  19.168  0.2131  2.6783
2.246 12.0 16.0  2  2  2 12 40.114  20.057  0.2226  2.7975
1.945 30.0 47.0  4  0  0 16 46.661  23.330  0.2571  3.2304
1.740 42.0 73.0  2  4  0 20 52.551  26.276  0.2874  3.6110
1.588 38.0 72.0  4  2  2 24 58.033  29.017  0.3149  3.9567
源文件已经上传。求大家帮个忙，一点点寒碜金币以表万分感激！[ Last edited by jwosnji on 2013-3-20 at 19:05 ]

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