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xiaofeiyu1619铜虫 (小有名气)
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[交流]
【求助】求贵金属的XRD标准衍射数据
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因做贵金属的XRD，需要确定贵金属的特征衍射峰位置，铂钯铑金银等等，求高手给个指点！在哪里可以找到？ 如果有人愿意帮助，愿给8个金币！ 他给我的是TXT的格式文件，如何标定啊？ 要不要拷原始数据啊？ [ Last edited by xiaofeiyu1619 on 2009-12-10 at 11:38 ] |
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2楼2009-12-10 11:28:39
JluChem
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3楼2009-12-10 12:25:21
csxray
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PDF#65-2868: QM=Calculated; d=Calculated; I=Calculated Platinum Pt Radiation=CuKa1 Lambda=1.54060 Filter= Calibration= d-Cutoff= I/Ic(RIR)=25.78 Ref= Calculated from NIST using POWD-12++ Cubic - (Unknown), Fm-3m (225) Z=4 mp= Cell=3.924 Pearson=cF4 (Cu) Density(c)=21.442 Density(m)=19.737 Mwt=195.09 Vol=60.42 F(9)=999.9(.0001,9) Ref= V.M.Goldschmidt J. Iron Steel Inst., London, 155 221 (1947) Strong Line: 2.27/X 1.96/5 1.18/3 1.39/3 0.90/1 0.88/1 0.80/1 1.13/1 0.98/1 0.00/1 NOTE: N AL3278 6762 IB=Pt d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d 2.266 100.0 100.0 1 1 1 3 39.754 19.877 0.221 2.773 1.962 46.2 53.4 2 0 0 4 46.233 23.116 0.255 3.202 1.387 25.0 40.8 2 2 0 8 67.452 33.726 0.360 4.529 1.183 26.5 50.8 3 1 1 11 81.242 40.621 0.423 5.311 1.133 7.5 15.0 2 2 2 12 85.688 42.844 0.441 5.547 0.981 3.5 8.1 4 0 0 16 103.478 51.739 0.510 6.405 0.900 11.9 29.9 3 3 1 19 117.663 58.832 0.555 6.980 0.877 11.5 29.7 4 2 0 20 122.775 61.388 0.570 7.161 0.801 10.7 30.3 4 2 2 24 148.169 74.085 0.624 7.844 PDF#65-6174: QM=Calculated; d=Calculated; I=Calculated Palladium Pd Radiation=CuKa1 Lambda=1.54060 Filter= Calibration= d-Cutoff= I/Ic(RIR)=16.42 Ref= Calculated from NIST using POWD-12++ Cubic - (Unknown), Fm-3m (225) Z=4 mp= Cell=3.8874 Pearson=cF4 (Cu) Density(c)=12.028 Density(m)=12.02A Mwt=106.40 Vol=58.75 F(8)=999.9(.0000,8) Ref= King, H. W., Manchester, F. D. J. Phys. F, 8 15 (1978) Strong Line: 2.24/X 1.94/4 1.37/2 1.17/2 0.89/1 0.87/1 1.12/1 0.97/1 0.00/1 0.00/1 NOTE: L 44719 42357 0 TF was not given, B set to 1.000 for calc. The Pd rod was process-annealed for 2hr at 367C and the heated for a few minutes to 800C to remove residual stresses. Materials Research Corporation 20 A low temperature x ray diffraction study of Pd and some Pd-H alloys See PDF 03-065-2867 and 01-089-4897. d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d 2.244 100.0 100.0 1 1 1 3 40.144 20.072 0.223 2.800 1.944 44.2 51.1 2 0 0 4 46.694 23.347 0.257 3.233 1.374 21.0 34.3 2 2 0 8 68.174 34.087 0.364 4.572 1.172 20.9 40.0 3 1 1 11 82.170 41.085 0.427 5.361 1.122 5.7 11.4 2 2 2 12 86.692 43.346 0.446 5.599 0.972 2.6 6.0 4 0 0 16 104.857 52.428 0.514 6.465 0.892 8.5 21.4 3 3 1 19 119.471 59.735 0.561 7.045 0.869 8.1 20.9 4 2 0 20 124.785 62.393 0.575 7.228 PDF#05-0685: QM=Star(+); d=(Unknown); I=Diffractometer Rhodium, syn Rh Radiation=CuKa1 Lambda=1.5405 Filter=Ni Calibration= d-Cutoff= I/Ic(RIR)= Ref= Swanson, Fuyat. Natl. Bur. Stand. (U.S.), Circ. 539, III (1953) Cubic - Powder Diffraction, Fm-3m (225) Z=4 mp= Cell=3.8031 Pearson=cF4 (Cu) Density(c)=12.424 Density(m)=12.38A Mwt=102.91 Vol=55.01 F(8)=95.2(.0105,8) Ref= Am. Mineral., 61 340 (1976) Strong Line: 2.20/X 1.90/5 1.15/3 1.35/3 0.87/2 0.85/1 1.10/1 0.95/1 0.00/1 0.00/1 NOTE: Sample from Baker Chemical Company. Spectroscopic analysis: <0.1% Ag; <0.01% Al, Fe, Ir, Mg, Mn, Pd, Pt, Si; <0.001% Ca, Cu, Pb, Ru. Pattern taken at 25 C. Occurs as mineral in Stillwater complex Montana, USA. To replace 00-001-1213 and 00-001-1214. d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d 2.196 100.0 100.0 1 1 1 3 41.068 20.534 0.228 2.861 1.902 50.0 58.0 2 0 0 4 47.780 23.890 0.263 3.303 1.345 26.0 42.0 2 2 0 8 69.877 34.939 0.372 4.672 1.147 33.0 63.0 3 1 1 11 84.393 42.197 0.436 5.479 1.098 11.0 22.0 2 2 2 12 89.110 44.555 0.455 5.723 0.951 7.0 16.0 4 0 0 16 108.219 54.109 0.526 6.608 0.872 20.0 50.0 3 3 1 19 123.999 62.000 0.573 7.202 0.850 14.0 36.0 4 2 0 20 129.859 64.929 0.588 7.389 PDF#65-8601: QM=Calculated; d=Calculated; I=Calculated Gold Au Radiation=CuKa1 Lambda=1.54060 Filter= Calibration= d-Cutoff= I/Ic(RIR)=25.30 Ref= Calculated from NIST using POWD-12++ Cubic - (Unknown), Fm-3m (225) Z=4 mp= Cell=4.072 Pearson=cF4 (Cu) Density(c)=19.373 Density(m)=19.24A Mwt=196.97 Vol=67.52 F(9)=999.9(.0004,9) Ref= Suh, I.-K., Ohta, H., Waseda, Y. J. Mater. Sci., 23 757 (1988) Strong Line: 2.35/X 2.04/5 1.23/2 1.44/2 0.93/1 0.91/1 0.83/1 1.18/1 1.02/1 0.00/1 NOTE: A 7123 53929 15 TF TF was not given, B set to 1.000 for calc. 20 C High-temperature thermal expansion of six metallic elements measured by dilatation method and X-ray diffraction d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d 2.351 100.0 100.0 1 1 1 3 38.252 19.126 0.213 2.673 2.036 46.1 53.3 2 0 0 4 44.461 22.230 0.246 3.086 1.440 23.8 38.9 2 2 0 8 64.693 32.347 0.347 4.364 1.228 24.3 46.5 3 1 1 11 77.716 38.858 0.407 5.118 1.175 6.7 13.4 2 2 2 12 81.882 40.941 0.425 5.345 1.018 2.9 6.7 4 0 0 16 98.341 49.171 0.491 6.172 0.934 8.8 22.1 3 3 1 19 111.086 55.543 0.535 6.726 0.911 8.3 21.4 4 2 0 20 115.552 57.776 0.549 6.901 0.831 7.1 20.1 4 2 2 24 135.857 67.928 0.602 7.559 PDF#65-8428: QM=Calculated; d=Calculated; I=Calculated Silver Ag Radiation=CuKa1 Lambda=1.54060 Filter= Calibration= d-Cutoff= I/Ic(RIR)=17.26 Ref= Calculated from NIST using POWD-12++ Cubic - (Unknown), Fm-3m (225) Z=4 mp= Cell=4.128 Pearson=cF4 (Cu) Density(c)=10.222 Density(m)=10.47A Mwt=107.87 Vol=70.34 F(9)=999.9(.0001,9) Ref= Predel, B., Bankstahl, H. Z. Metallkd., 67 793 (1976) Strong Line: 2.38/X 2.06/5 1.46/2 1.24/2 0.95/1 0.92/1 0.84/1 1.19/1 1.03/1 0.00/1 NOTE: A 211 49095 12/ TF TF was not given, B set to 1.000 for calc. Ag0.996 Bi0.004 Prepared by rapid cooling of stoichiometric melt. Metastabile Phasen im System Siber-Wismut Metastable phase. Solute Ag1-xBix, x= 0-0.04, a=4.086-4.128, linear dependence, (information taken from figure) d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d 2.383 100.0 100.0 1 1 1 3 37.713 18.856 0.210 2.636 2.064 45.8 53.0 2 0 0 4 43.826 21.913 0.242 3.044 1.459 22.7 37.1 2 2 0 8 63.711 31.856 0.343 4.305 1.245 22.5 43.1 3 1 1 11 76.468 38.234 0.402 5.048 1.192 6.2 12.4 2 2 2 12 80.541 40.271 0.420 5.273 1.032 2.6 6.0 4 0 0 16 96.558 48.279 0.484 6.088 0.947 7.8 19.6 3 3 1 19 108.852 54.426 0.528 6.635 0.923 7.4 19.1 4 2 0 20 113.127 56.563 0.542 6.807 0.843 6.3 17.8 4 2 2 24 132.169 66.085 0.593 7.457 |
4楼2009-12-14 15:59:48
5楼2009-12-19 16:32:37
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