Question

请求高手帮忙分析XRD，自己不是很会学了一天，PDF卡片52-1140具体是什么

我要的是52-1140.能不能给个？谢谢啊

Answer 1

不好意思，一下子按错了。54-1140就当是免费赠送啦，细节就不说了，你按照下面的参照一下吧。
PDF#52-1140: QM=Star(+); d=Diffractometer; I=Diffractometer
Iron Silicon Oxide （铁氧化硅薄膜）
Fe2.95 Si0.05 O4
Radiation=CoKa1 Lambda=1.7896 Filter=
Calibration= d-Cutoff= I/Ic(RIR)=
Ref= Ohtaka, O., Tobe, H., Yamanaka, T.
Phys. Chem. Miner., 24 555 (1997)
Cubic - Powder Diffraction, F Z=8 mp=
Cell=8.388 Pearson=cF56 (Spinel, Al2 Mg O4)
Density(c)=5.181 Density(m)=5.10A Mwt=230.15 Vol=590.17 F(9)=82.7(.0099,11)
Ref= Ibid.

Strong Line: 2.53/X 1.61/4 2.10/3 1.48/3 2.97/3 1.71/1 4.84/1 2.42/1 1.92/1 0.00/1
NOTE: A mixture of Fe3 O4 and $GA-Fe2 Si O4 (molar ratio 9:1) was held for 5 hours at 1200 C and 6 GPa pressure.

d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d
4.844 6.0 3.0 1 1 1 3 18.300 9.150 0.1032 1.2971
2.966 26.0 22.0 2 2 0 8 30.105 15.052 0.1686 2.1184
2.529 100.0 100.0 3 1 1 11 35.466 17.733 0.1977 2.4845
2.421 3.0 3.0 2 2 2 12 37.104 18.552 0.2065 2.5953
2.096 33.0 40.0 4 0 0 16 43.123 21.562 0.2385 2.9977
1.924 1.0 1.0 3 3 1 19 47.201 23.600 0.2599 3.2657
1.712 7.0 10.0 4 2 2 24 53.478 26.739 0.2921 3.6701
1.614 38.0 60.0 5 1 1 27 57.012 28.506 0.3098 3.8929
1.483 32.0 55.0 4 4 0 32 62.585 31.292 0.3372 4.2368

PDF#54-1140: QM=Star(+); d=Diffractometer; I=Diffractometer （pdf#54-1140，采用测量衍射线相对强度方法：衍射仪法）
Aluminum Gadolinium Lanthanum Oxide（物质英文名，中文(有道词典翻译）名铝氧化钆镧系）
Gd0.68 La0.32 Al O3 (Yellowish) （物质化学式，含有Gd，La，Al，O元素，颜色淡黄）
Radiation=Sync Lambda=1.21893 Filter=Ge （检测用X射线，由同步发生，波长=1.21893nm，滤波片是Ge）
Calibration= d-Cutoff= I/Ic(RIR)= （校准，该物质最强线与刚玉最强线比值=）
Ref= Vasylechko, L., L'viv Polytechnic National Univ., Ukraine. （以上资料文献来源：Vasylechko, L., L'viv Polytechnic National Univ., Ukraine.）
ICDD Grant-in-Aid (2003) （国家衍射数据中心2003资助）
Orthorhombic - (Unknown), Pbnm (62) Z=4 mp= （正交晶系，一个单包中含有4个分子）
Cell=5.3068x5.3021x7.4908 Pearson=oP20 (?) （晶胞参数=x*y*z=5.3068x5.3021x7.4908 皮尔逊符号（描写晶体结构的）：oP20）
Density(c)=7.115 Density(m)=5.97A Mwt=226.36 Vol=210.77 F(30)=19.7(0.029,52) （密度7.115 X射线密度5.97A 分子量226.36 晶胞体积210.77 ）
Ref= Ibid. （参考文献，同上）

Strong Line: 2.65/X 3.74/5 1.87/3 1.53/3 2.16/3 1.32/3 1.68/2 1.00/2 1.19/2 1.18/1 （强峰）
NOTE: Single crystal was grown by the Czochralsky method (Louttz, G., Center for Material Research, Norfolk State Univ., Virginia, USA). （注：单晶由Czochralsky方法生长而成，作者Louttz，g。 材料研究中心，诺福克州立大学，美国维吉尼亚州）
Pattern taken at 25 C. （样品在25℃下制备）
Reference reports: a=5.3116(2), b=5.3061(2), c=7.4972(2). （参考报告:晶胞参数a,b,c）
Cell parameters generated by least squares refinement. （晶胞参数由最小二乘法得出）

（以下是XRD图的具体信息，可通过origin等软件做出XRD等图）

d(A) I(f) I(v) h k l n^2 2-Theta Theta 1/(2d) 2pi/d
3.742 48.2 34.1 1 1 0 23.758 11.879 0.1336 1.6791
3.736 18.5 13.1 0 0 2 23.791 11.896 0.1338 1.6814
3.347 2.7 2.1 1 1 1 26.610 13.305 0.1494 1.8772
2.649 27.7 27.7 2 0 0 33.801 16.900 0.1887 2.3713
2.646 100.0 100.0 1 1 2 33.841 16.920 0.1889 2.3740
2.646 100.0 100.0 0 2 0 33.841 16.920 0.1889 2.3740
2.495 1.8 1.9 0 2 1 35.955 17.978 0.2003 2.5176
2.259 1.3 1.5 1 2 1 39.858 19.929 0.2213 2.7804
2.259 1.3 1.5 2 1 1 39.858 19.929 0.2213 2.7804
2.257 0.8 0.9 1 0 3 39.903 19.952 0.2215 2.7834
2.163 24.6 30.1 2 0 2 41.722 20.861 0.2311 2.9047
2.161 27.0 33.1 0 2 2 41.753 20.876 0.2313 2.9068
2.076 0.8 1.0 1 1 3 43.551 21.776 0.2408 3.0260
1.874 32.2 45.5 2 2 0 48.540 24.270 0.2668 3.3528
1.871 14.4 20.4 0 0 4 48.609 24.305 0.2672 3.3573
1.817 2.1 3.1 2 2 1 50.139 25.069 0.2750 3.4562
1.816 1.3 1.9 0 2 3 50.186 25.093 0.2753 3.4593
1.718 0.7 1.1 1 2 3 53.247 26.624 0.2909 3.6554
1.718 0.7 1.1 2 1 3 53.247 26.624 0.2909 3.6554
1.677 6.7 10.6 3 1 0 54.682 27.341 0.2981 3.7464
1.675 20.7 32.7 2 2 2 54.727 27.363 0.2984 3.7492
1.675 20.7 32.7 1 3 0 54.727 27.363 0.2984 3.7492
1.674 11.5 18.2 1 1 4 54.773 27.387 0.2986 3.7522
1.636 0.5 0.8 3 1 1 56.166 28.083 0.3056 3.8399
1.635 3.3 5.3 1 3 1 56.203 28.102 0.3058 3.8422
1.530 24.1 41.7 3 1 2 60.427 30.214 0.3267 4.1048
1.529 31.8 55.1 1 3 2 60.477 30.238 0.3269 4.1079
1.529 31.8 55.1 2 0 4 60.477 30.238 0.3269 4.1079
1.528 10.6 18.3 0 2 4 60.507 30.253 0.3270 4.1097
1.498 0.8 1.4 2 2 3 61.846 30.923 0.3336 4.1918
1.442 0.3 0.6 3 0 3 64.532 32.266 0.3465 4.3546
1.442 0.3 0.6 3 2 1 64.532 32.266 0.3465 4.3546
1.441 0.2 0.4 1 0 5 64.611 32.305 0.3469 4.3594
1.391 2.6 4.9 3 1 3 67.218 33.609 0.3593 4.5151
1.391 2.6 4.9 1 3 3 67.218 33.609 0.3593 4.5151
1.326 4.2 8.4 4 0 0 71.001 35.500 0.3769 4.7368
1.324 26.2 52.4 2 2 4 71.099 35.549 0.3774 4.7425
1.324 26.2 52.4 0 4 0 71.099 35.549 0.3774 4.7425
1.304 1.7 3.4 0 4 1 72.356 36.178 0.3832 4.8151
1.304 0.1 0.2 0 2 5 72.414 36.207 0.3834 4.8184
1.285 0.1 0.2 1 4 0 73.603 36.802 0.3889 4.8864
1.268 0.5 1.0 4 1 1 74.792 37.396 0.3942 4.9539
1.267 0.4 0.8 2 3 3 74.883 37.441 0.3946 4.9591
1.267 0.4 0.8 1 4 1 74.883 37.441 0.3946 4.9591
1.250 3.9 8.3 3 3 0 76.059 38.029 0.3999 5.0253
1.250 3.9 8.3 4 0 2 76.059 38.029 0.3999 5.0253
1.249 8.6 18.2 0 4 2 76.113 38.057 0.4001 5.0283
1.249 8.6 18.2 3 1 4 76.113 38.057 0.4001 5.0283
1.249 8.4 17.8 1 3 4 76.154 38.077 0.4003 5.0306
1.248 1.1 2.3 0 0 6 76.212 38.106 0.4006 5.0338
1.233 1.4 3.0 3 3 1 77.316 38.658 0.4055 5.0954
1.186 5.7 12.7 4 2 0 80.975 40.487 0.4215 5.2962
1.185 16.1 35.9 2 4 0 81.031 40.515 0.4217 5.2992
1.185 16.1 35.9 3 3 2 81.031 40.515 0.4217 5.2992
1.184 12.0 26.8 1 1 6 81.132 40.566 0.4221 5.3047
1.171 0.6 1.4 4 2 1 82.204 41.102 0.4267 5.3625
1.171 2.4 5.4 2 4 1 82.264 41.132 0.4270 5.3657
1.170 1.3 2.9 2 2 5 82.315 41.158 0.4272 5.3684
1.170 1.3 2.9 0 4 3 82.315 41.158 0.4272 5.3684
1.143 0.4 0.9 4 1 3 84.654 42.327 0.4371 5.4926
1.131 5.8 13.6 4 2 2 85.850 42.925 0.4421 5.5553
1.130 6.0 14.0 2 4 2 85.913 42.956 0.4423 5.5585
1.129 2.4 5.6 2 0 6 85.964 42.982 0.4425 5.5612
1.129 5.8 13.6 0 2 6 86.001 43.000 0.4427 5.5631
1.117 1.7 4.0 3 3 3 87.114 43.557 0.4473 5.6208
1.117 1.2 2.8 1 3 5 87.182 43.591 0.4476 5.6243
1.082 5.0 12.2 4 0 4 90.715 45.357 0.4618 5.8037
1.081 5.0 12.2 0 4 4 90.797 45.399 0.4622 5.8079
1.071 0.6 1.5 4 2 3 91.914 45.957 0.4666 5.8634
1.071 1.7 4.2 2 4 3 91.973 45.986 0.4668 5.8663
1.040 1.9 4.8 5 1 0 95.476 47.738 0.4804 6.0368
1.039 4.8 12.2 3 3 4 95.592 47.796 0.4808 6.0424
1.039 4.8 12.2 1 5 0 95.592 47.796 0.4808 6.0424
1.039 4.6 11.7 2 2 6 95.661 47.830 0.4811 6.0457
1.030 2.5 6.4 1 5 1 96.813 48.407 0.4855 6.1004
1.002 6.8 17.9 5 1 2 100.357 50.179 0.4985 6.2650
1.002 8.3 21.9 4 2 4 100.434 50.217 0.4988 6.2685
1.001 18.1 47.8 2 4 4 100.503 50.251 0.4991 6.2716
1.001 18.1 47.8 1 5 2 100.503 50.251 0.4991 6.2716
1.001 6.9 18.2 1 3 6 100.552 50.276 0.4993 6.2738
1.001 6.9 18.2 3 1 6 100.552 50.276 0.4993 6.2738
0.992 1.0 2.7 0 4 5 101.776 50.888 0.5037 6.3291
0.976 0.3 0.8 4 3 3 104.137 52.068 0.5120 6.4338
0.976 0.3 0.8 1 4 5 104.223 52.111 0.5123 6.4376
0.960 0.3 0.8 5 1 3 106.606 53.303 0.5205 6.5404
0.960 2.7 7.4 3 3 5 106.718 53.359 0.5208 6.5451
0.960 2.7 7.4 1 5 3 106.718 53.359 0.5208 6.5451
0.937 3.1 8.7 4 4 0 110.434 55.217 0.5331 6.6995
0.936 1.7 4.8 0 0 8 110.666 55.333 0.5339 6.7089
0.930 1.3 3.7 4 4 1 111.729 55.865 0.5373 6.7517
0.929 1.3 3.7 2 4 5 111.850 55.925 0.5377 6.7565
0.909 7.0 20.4 3 5 0 115.680 57.840 0.5495 6.9054
0.909 7.0 20.4 5 1 4 115.680 57.840 0.5495 6.9054
0.909 4.2 12.2 1 5 4 115.798 57.899 0.5499 6.9099
0.909 4.2 12.2 4 0 6 115.798 57.899 0.5499 6.9099
0.908 3.4 9.9 0 4 6 115.901 57.950 0.5502 6.9138
0.908 3.4 9.9 1 1 8 115.901 57.950 0.5502 6.9138
0.903 0.8 2.3 5 3 1 116.976 58.488 0.5534 6.9541
0.903 1.8 5.3 3 5 1 117.080 58.540 0.5537 6.9580
0.902 0.6 1.8 1 3 7 117.252 58.626 0.5542 6.9644
0.884 5.1 15.3 5 3 2 121.119 60.559 0.5653 7.1037
0.884 5.1 15.3 6 0 0 121.119 60.559 0.5653 7.1037
0.884 5.2 15.6 3 5 2 121.220 60.610 0.5656 7.1072
0.884 5.2 15.6 0 6 0 121.220 60.610 0.5656 7.1072
0.883 7.8 23.4 3 3 6 121.319 60.659 0.5658 7.1107
0.883 4.5 13.5 0 2 8 121.434 60.717 0.5662 7.1147
0.883 4.5 13.5 2 0 8 121.434 60.717 0.5662 7.1147
0.878 0.7 2.1 4 4 3 122.609 61.304 0.5694 7.1552
0.877 1.3 3.9 0 6 1 122.692 61.346 0.5696 7.1580