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【求助】：氧化亚铜的XRD标准普图
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如题！ [ Last edited by jackchen145 on 2008-5-31 at 14:40 ] |
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有三种PDF卡片，自己对照一下吧： ----------------------------------------------------------------------------------------- 1： PDF#34-1354: QM=Intermediate; d=(Unknown); I=Film/Visual Copper Oxide Cu2 O Radiation=MoKa Lambda=0.710688 Filter= Calibration= d-Cutoff= I/Ic(RIR)= Ref= Kalliomaki, M. et al. Phys. Status Solidi, 56 K127 (1979) Cubic - (Unknown), Pn3m (224) Z=2 mp= Cell=4.217 Pearson=cP6 (Ag2 O) Density(c)=6.337 Density(m)=8.80A Mwt=143.09 Vol=74.99 F(5)=9.3(0.067,8) Ref= Ibid. Strong Line: 2.43/X 2.12/X 1.49/8 1.27/5 2.98/3 0.00/1 0.00/1 0.00/1 0.00/1 0.00/1 NOTE: The X-ray samples were prepared from small crystals of optical quality and were studied in a diamond anvil cell under hydrostatic or quasi-hydrostatic pressure, the pressure was calibrated against a NaCl scale. Pattern at high pressure, 5.0 GPa. d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d 2.9780 25.0 17.0 1 1 0 2 29.981 14.990 0.1679 2.1099 2.4270 100.0 82.0 1 1 1 3 37.009 18.505 0.2060 2.5889 2.1200 100.0 93.0 2 0 0 4 42.611 21.305 0.2358 2.9638 1.4860 75.0 100.0 2 2 0 8 62.444 31.222 0.3365 4.2283 1.2740 50.0 78.0 3 1 1 11 74.402 37.201 0.3925 4.9319 ------------------------------------------------------------------------------------------------ 2： PDF#35-1091: QM=Intermediate; d=(Unknown); I=Film/Visual Copper Oxide Cu2 O Radiation=MoKa Lambda=0.710688 Filter= Calibration= d-Cutoff= I/Ic(RIR)= Ref= Kalliomaki, M. et al. Phys. Status Solidi, 56 K127 (1979) (Unknown) - (Unknown) Z= mp= Cell= Pearson= Density(c)= Density(m)= Mwt=143.09 Vol=0.00 Ref= Ibid. Strong Line: 2.42/X 2.22/8 2.12/8 2.02/5 1.46/5 1.92/3 1.70/3 1.62/3 0.00/1 0.00/1 NOTE: X-ray samples of Cu2 O were prepared from small crystals of optical quality and studied in a diamond anvil cell under hydrostatic or quasi-hydrostatic pressure, the pressures were calibrated against a NaCl scale. This material is designated as phase III and is assumed by the reference to be attributable to a distortion on the cubic cell. Pattern at high pressure 13 GPA. d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d 2.4210 100.0 100.0 37.104 18.552 0.2065 2.5953 2.2180 75.0 82.0 40.643 20.321 0.2254 2.8328 2.1210 75.0 86.0 42.590 21.295 0.2357 2.9624 2.0200 50.0 60.0 44.832 22.416 0.2475 3.1105 1.9220 25.0 31.0 47.253 23.626 0.2601 3.2691 1.7000 25.0 36.0 53.886 26.943 0.2941 3.6960 1.6170 25.0 37.0 56.896 28.448 0.3092 3.8857 1.4550 50.0 83.0 63.930 31.965 0.3436 4.3183 ------------------------------------------------------------------------------------------- 3： PDF#65-3288: QM=Calculated; d=Calculated; I=Calculated Copper Oxide Cu2 O Radiation=CuKa1 Lambda=1.54060 Filter= Calibration= d-Cutoff= I/Ic(RIR)=8.63 Ref= Calculated from NIST using POWD-12++ Cubic - (Unknown), Pn-3m (224) Z=2 mp= Cell=4.26 Pearson=cP6 (Ag2 O) Density(c)=6.090 Density(m)=8.80A Mwt=143.09 Vol=77.31 F(20)=999.9(.0001,20) Ref= M.Neuberger Z. Kristallogr., Kristallgeom., Kristallphys., Kristallchem., 77 169 (1931) Strong Line: 2.46/X 2.13/4 1.51/3 1.28/2 0.98/1 0.87/1 0.82/1 3.01/1 0.95/1 1.23/1 NOTE: N AL4552 3545 IB=Cu,O d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d 3.0123 5.2 4.2 1 1 0 2 29.632 14.816 0.1660 2.0859 2.4595 100.0 100.0 1 1 1 3 36.502 18.251 0.2033 2.5546 2.1300 35.5 41.0 2 0 0 4 42.401 21.201 0.2347 2.9499 1.7391 1.2 1.7 2 1 1 6 52.579 26.290 0.2875 3.6128 1.5061 29.3 47.8 2 2 0 8 61.518 30.759 0.3320 4.1717 1.4200 0.1 0.2 2 2 1 9 65.701 32.851 0.3521 4.4248 1.3471 0.3 0.5 3 1 0 10 69.751 34.875 0.3712 4.6641 1.2844 22.9 43.9 3 1 1 11 73.697 36.848 0.3893 4.8918 1.2298 4.9 9.8 2 2 2 12 77.565 38.783 0.4066 5.1093 1.1385 0.3 0.6 3 2 1 14 85.150 42.575 0.4392 5.5187 1.0650 2.9 6.7 4 0 0 16 92.650 46.325 0.4695 5.8997 1.0332 0.1 0.2 3 2 2 17 96.409 48.205 0.4839 6.0813 1.0041 0.1 0.2 3 3 0 18 100.196 50.098 0.4980 6.2576 0.9773 6.9 17.4 3 3 1 19 104.028 52.014 0.5116 6.4291 0.9526 5.1 13.2 4 2 0 20 107.926 53.963 0.5249 6.5961 0.9296 0.1 0.3 4 2 1 21 111.912 55.956 0.5379 6.7590 0.9082 0.1 0.3 3 3 2 22 116.013 58.006 0.5505 6.9180 0.8696 6.1 17.3 4 2 2 24 124.705 62.352 0.5750 7.2256 0.8355 0.2 0.6 5 1 0 26 134.437 67.219 0.5985 7.5207 0.8198 6.1 18.3 5 1 1 27 139.953 69.977 0.6099 7.6639 |
2楼2008-05-31 14:11:56