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求助:我的XRD图怎么分析啊

  • jannyhuang
    2006/06/01
  • 私聊

X射线衍射仪(XRD)

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  • chem110

    第1楼2006/06/03

    楼上的兄弟,你的XRD图谱好像已经归属好了啊,看来他与InO的标准图谱比较吻合,如果你只需定性分析的话,只能算是初步吧,你还需要用软件如:Winplot将图中的峰归属,算出它的晶胞参数。

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  • XRD

    第2楼2006/07/01

    你的附件中只有衍射图,标出了每个峰的d值和强度,但不是物相分析结果,估计你的仪器没有这个功能.但说实话,设备确实很好.不知道什么原因,没有给你最终的物相分析结果.
    从图谱来看,你的样品中都包含In2O3.它的标准PDF卡片是:
    PDF#06-0416: QM=Star(+); d=(Unknown); I=Diffractometer
    Indium Oxide
    In2 O3    (Light yellow)
    Radiation=CuKa1    Lambda=1.5405    Filter=Ni
    Calibration=    d-Cutoff=    I/Ic(RIR)=9.3
    Ref= Swanson et al.
    Natl. Bur. Stand. (U.S.), Circ. 539, 5 26 (1955)
    Cubic - Powder Diffraction, Ia-3 (206)    Z=16    mp=
    Cell=10.118    Pearson=cI80 (Mn2 O3)
    Density(c)=7.117    Density(m)=6.99A    Mwt=277.64    Vol=1035.82    F(30)=90.4(.0107,31)
    Ref= Ibid.

    Strong Line: 2.92/X 1.79/4 2.53/3 1.53/3 4.13/1 1.98/1 2.39/1 2.16/1 1.64/1 1.49/1
    NOTE: Sample from Johnson Matthey Company, Ltd.
    Spectrographic analysis: <0.1% Na, Ca; <0.001% Ag, Mg, Fe, Li, Sn, Cd, Si; <0.0001% Cu, Mn.
    Validated by calculated pattern 00-044-1087.
    X-ray pattern at 26 C.
    Merck Index, 8th Ed., p.
    564.
    Plus 9 reflections to 0.9477.
    Pattern reviewed by Holzer, J., McCarthy, G., North Dakota State University, Fargo, North Dakota, USA, JCPDS Grant-in-Aid Report (1990).
    Agrees well with experimental and calculated patterns.
    Additional weak reflections [indicated by brackets] were observed.

    d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d
    5.060 1.0 1.0 2 0 0 4 17.512 8.756 0.0988 1.2417
    4.130 14.0 10.0 2 1 1 6 21.498 10.749 0.1211 1.5214
    2.921 100.0 100.0 2 2 2 12 30.580 15.290 0.1712 2.1510
    2.704 2.0 2.0 3 2 1 14 33.102 16.551 0.1849 2.3237
    2.529 30.0 35.0 4 0 0 16 35.466 17.733 0.1977 2.4845
    2.385 8.0 10.0 4 1 1 18 37.685 18.843 0.2096 2.6345
    2.262 2.0 3.0 4 2 0 20 39.818 19.909 0.2210 2.7777
    2.157 6.0 8.0 3 3 2 22 41.845 20.923 0.2318 2.9129
    2.066 2.0 3.0 4 2 2 24 43.781 21.891 0.2420 3.0412
    1.984 10.0 15.0 4 3 1 26 45.691 22.845 0.2520 3.1669
    1.848 4.0 6.0 5 2 1 30 49.268 24.634 0.2706 3.4000
    1.788 35.0 57.0 4 4 0 32 51.037 25.519 0.2796 3.5141
    1.735 4.0 7.0 4 3 3 34 52.714 26.357 0.2882 3.6214
    1.686 2.0 3.0 6 0 0 36 54.370 27.185 0.2966 3.7267
    1.641 6.0 11.0 6 1 1 38 55.990 27.995 0.3047 3.8289
    1.600 2.0 4.0 6 2 0 40 57.557 28.779 0.3125 3.9270
    1.561 4.0 7.0 5 4 1 42 59.136 29.568 0.3203 4.0251
    1.525 25.0 48.0 6 2 2 44 60.676 30.338 0.3279 4.1201
    1.492 6.0 12.0 6 3 1 46 62.165 31.083 0.3351 4.2113
    1.460 6.0 12.0 4 4 4 48 63.685 31.843 0.3425 4.3036
    1.431 2.0 4.0 5 4 3 50 65.133 32.567 0.3494 4.3908
    1.403 2.0 4.0 6 4 0 52 66.600 33.300 0.3564 4.4784
    1.377 4.0 8.0 7 2 1 54 68.027 34.014 0.3631 4.5630
    1.352 2.0 4.0 6 4 2 56 69.463 34.732 0.3698 4.6473
    1.285 4.0 9.0 6 5 1 62 73.660 36.830 0.3891 4.8896
    1.265 4.0 9.0 8 0 0 64 75.022 37.511 0.3953 4.9669
    1.246 4.0 9.0 7 4 1 66 76.370 38.185 0.4013 5.0427
    1.227 2.0 5.0 8 2 0 68 77.772 38.886 0.4075 5.1208
    1.209 4.0 10.0 6 5 3 70 79.155 39.578 0.4136 5.1970
    1.192 2.0 5.0 8 2 2 72 80.513 40.256 0.4195 5.2711
    1.176 4.0 10.0 8 3 1 74 81.822 40.911 0.4251 5.3419
    1.160 6.0 15.0 6 6 2 76 83.164 41.582 0.4308 5.4137
    1.145 1.0 3.0 7 5 2 78 84.502 42.251 0.4365 5.4846
    1.131 4.0 10.0 8 4 0 80 85.834 42.917 0.4420 5.5544
    1.117 2.0 5.0 8 3 3 82 87.167 43.584 0.4475 5.6235
    1.104 2.0 5.0 8 4 2 84 88.488 44.244 0.4529 5.6913
    1.091 2.0 5.0 7 6 1 86 89.815 44.908 0.4583 5.7586
    1.078 1.0 3.0 6 6 4 88 91.147 45.573 0.4636 5.8253
    1.066 2.0 5.0 8 5 1 90 92.481 46.241 0.4688 5.8914
    1.043 2.0 6.0 9 3 2 94 95.139 47.570 0.4791 6.0207
    1.032 4.0 11.0 8 4 4 96 96.471 48.236 0.4842 6.0842
    你可以按照PDF卡片上标出的每行d值去标记每个峰的归属。
    另外,我也把In2O3标准图加到你的原图中,你可以打开附件去比对。
    从比对的结果来看,样品的物相还是纯的。
    如果有原始数据RAW文件,则可以上传上来,必定有很多人帮你分析出结果。

    原图与标准图的比对

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