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fengsix

金虫 (小有名气)

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虫号: 160107
注册: 2006-01-08
专业: 无机纳米化学

[求助] 求一个含钛化合物（PDF#47-0123）的cif文件

求一个含钛化合物的cif文件，它的PDF卡片信息如下：
PDF#47-0123: QM=Star/Calculated; d=Other/Unknown; I=(Unknown)
Lithium Titanium Oxide Hydrate
(Li1.81,H0.19)Ti2O5!2H2O
Radiation=CuKa1 Lambda=1.5406 Filter=
Calibration= d-Cutoff= I/Ic(RIR)=
Ref= Level-1 PDF

Orthorhombic(Base-Center) Z= mp=
Cell=16.66x3.797x3.007<90x90x90> Pearson=
Density(c)=1.959 Density(m)= Mwt= Vol=
Ref= Ibid.

Strong Line: 8.34/X  3.13/5  2.43/3  1.90/3  2.04/1  1.50/1  1.68/1  1.51/1

d(A)    I(f) I(v)  h  k  l  n^2  2-Theta Theta  1/(2d) 2pi/d
8.340  100.0 70.0  2  0  0       10.599 5.299  0.0600  0.7534
4.162 3.0 4.0  4  0  0       21.331  10.665  0.1201  1.5097
3.703 9.0 14.0  1  1  0       24.012  12.006  0.1350  1.6968
3.134 54.0  100.0  3  1  0       28.456  14.228  0.1595  2.0048
2.831 5.0 10.0  2  0  1       31.577  15.789  0.1766  2.2194
2.770 3.0 6.0  6  0  0       32.291  16.146  0.1805  2.2683
2.431 31.0 74.0  4  0  1       36.946  18.473  0.2057  2.5846
2.332 1.0 2.0  1  1  1       38.575  19.288  0.2144  2.6943
2.167 3.0 8.0  3  1  1       41.643  20.822  0.2307  2.8995
2.042 14.0 40.0  6  0  1       44.323  22.161  0.2449  3.0770
1.898 26.0 80.0  0  2  0       47.887  23.944  0.2634  3.3104
1.850 7.0 22.0  2  2  0       49.211  24.605  0.2703  3.3963
1.679 10.0 35.0  7  1  1       54.616  27.308  0.2978  3.7422
1.575 2.0 7.0  2  2  1       58.559  29.279  0.3175  3.9893
1.506 9.0 35.0  0  0  2       61.524  30.762  0.3320  4.1721
1.495 11.0 43.0  4  2  1       62.027  31.013  0.3344  4.2028
1.480 2.0 8.0  2  0  2       62.726  31.363  0.3378  4.2454
1.456 1.0 4.0  9  1  1       63.881  31.941  0.3434  4.3154
1.393 6.0 25.0  1  1  2       67.141  33.571  0.3589  4.5105
1.392 6.0 25.0  6  2  1       67.196  33.598  0.3592  4.5138
1.356 2.0 9.0  3  1  2       69.229  34.615  0.3687  4.6336

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