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[求助] 跪求XRD中的RIR值已有1人参与

我现在急需PDF#48-1278（TiO2）和PDF#50-0791（Ti9O17)在PDF卡片中的RIR值，在做半定量分析。麻烦数据库里有此数据的分享一下，非常感谢。

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1楼 2015-05-21 14:57:36

已阅回复此楼关注TA 给TA发消息送TA红花 TA的回帖

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【答案】应助回帖

感谢参与，应助指数 +1

PDF#85-1061: QM=Calculated(C); d=Calculated; I=Calculated
Titanium Oxide
Ti9 O17
Radiation=CuKa1 Lambda=1.54060 Filter=
Calibration= 2T=6.035-63.308 I/Ic(RIR)=1.01
Ref: Calculated from ICSD using POWD-12++ (1997)

Triclinic - (Unknown),  I-1 (2) Z=4 mp=
CELL: 5.524 x 7.142 x 50.03 <66.41 x 57.2 x 108.53> P.S=aP52 (?)
Density(c)=4.265 Density(m)=5.02A Mwt=703.09 Vol=547.36 F(30)=311.3(.0019,52/0)
Ref: le Page, Y., Strobel, P.
J. Solid State Chem., v44 p273 (1982)
Strong Lines: 3.07/X 3.17/8 3.34/7 3.65/4 1.68/4 2.50/4 1.70/4 2.49/4 2.55/3 1.64/3
FIZ=035124: ICSD SG: I1-          IT  is: 2 SG short form: I-1 ITF See PDF 00-050-0791.
Structural chemistry of the Magneli phases Tin O(2n-1), 4<=n<=9 i25 c a (I1-) N9O17
2-Theta d(?) I(f) ( h k l ) Theta 1/(2d) 2pi/d n^2
6.035 14.6327 3.4 ( 0 0 2) 3.018 0.0342 0.4294
12.087 7.3163 1.5 ( 0 0 4) 6.043 0.0683 0.8588
13.165 6.7194 0.1 ( 0 1 5) 6.583 0.0744 0.9351
13.791 6.4157 0.1 ( 0 1 3) 6.896 0.0779 0.9794
15.164 5.8379 0.1 ( 0 1 7) 7.582 0.0856 1.0763
16.933 5.2319 1.9 ( 1 0 7) 8.466 0.0956 1.2009
17.720 5.0011 4.0 ( 1 0 5) 8.860 0.1000 1.2564
18.173 4.8776 1.5 ( 0 0 6) 9.086 0.1025 1.2882
18.258 4.8551 1.6 ( 1 0 9) 9.129 0.1030 1.2942
18.993 4.6688 0.1 ( 0 1 9) 9.496 0.1071 1.3458
19.102 4.6422 0.1 (-1 1 0) 9.551 0.1077 1.3535
20.384 4.3531 9.4 ( 1 0 3) 10.192 0.1149 1.4434
21.121 4.2029 0.1 ( 0-1 1) 10.561 0.1190 1.4950
21.121 4.2029 0.1 ( 1-1 6) 10.561 0.1190 1.4950
21.317 4.1646 0.9 ( 1 0 11) 10.659 0.1201 1.5087
22.064 4.0253 0.1 (-1 1 2) 11.032 0.1242 1.5609
24.340 3.6538 44.4 ( 0 0 8) 12.170 0.1368 1.7196
24.340 3.6538 44.4 ( 1 0 1) 12.170 0.1368 1.7196
24.936 3.5679 0.3 ( 1-1 8) 12.468 0.1401 1.7610
25.522 3.4873 1.1 ( 1 0 13) 12.761 0.1434 1.8017
26.513 3.3591 18.6 (-1 2 3) 13.256 0.1488 1.8705
26.513 3.3591 18.6 ( 0 2 10) 13.256 0.1488 1.8705
26.641 3.3432 66.8 (-1 2 1) 13.321 0.1496 1.8794
27.779 3.2088 9.0 (-1 2 5) 13.890 0.1558 1.9581
27.779 3.2088 9.0 ( 0 2 6) 13.890 0.1558 1.9581
28.147 3.1678 79.3 ( 1-2 1) 14.073 0.1578 1.9835
29.100 3.0661 100.0 (-1 0 1) 14.550 0.1631 2.0493
30.279 2.9494 3.8 (-1 2 7) 15.139 0.1695 2.1303
30.350 2.9426 5.1 ( 0 2 4) 15.175 0.1699 2.1352
30.438 2.9343 3.7 ( 1 0 15) 15.219 0.1704 2.1413
30.602 2.9190 5.7 ( 0 2 14) 15.301 0.1713 2.1525
30.843 2.8967 3.7 ( 1-2 3) 15.422 0.1726 2.1691
31.774 2.8139 0.1 ( 0-1 5) 15.887 0.1777 2.2329
32.274 2.7714 0.1 ( 1 1 18) 16.137 0.1804 2.2672
32.475 2.7547 0.1 ( 2-1 9) 16.238 0.1815 2.2809
33.072 2.7064 0.1 ( 1 1 4) 16.536 0.1847 2.3216
33.072 2.7064 0.1 ( 2-1 7) 16.536 0.1847 2.3216
33.764 2.6525 1.5 (-1 2 9) 16.882 0.1885 2.3688
33.886 2.6432 4.1 ( 0 2 2) 16.943 0.1892 2.3771
34.206 2.6192 24.1 ( 2 0 14) 17.103 0.1909 2.3989
34.206 2.6192 24.1 ( 0 2 16) 17.103 0.1909 2.3989
34.518 2.5962 4.6 ( 2 0 12) 17.259 0.1926 2.4201
34.518 2.5962 4.6 ( 1-2 5) 17.259 0.1926 2.4201
35.100 2.5545 30.5 ( 2 0 16) 17.550 0.1957 2.4596
35.821 2.5047 38.9 ( 2 0 10) 17.910 0.1996 2.5085
35.821 2.5047 38.9 ( 1 0 17) 17.910 0.1996 2.5085
35.894 2.4998 26.1 ( 1 2 15) 17.947 0.2000 2.5135
36.079 2.4874 35.4 ( 2-2 4) 18.040 0.2010 2.5260
36.079 2.4874 35.4 ( 1 2 17) 18.040 0.2010 2.5260
36.653 2.4497 0.6 ( 1 1 20) 18.327 0.2041 2.5648
36.783 2.4414 1.1 ( 0 0 12) 18.391 0.2048 2.5736
36.783 2.4414 1.1 ( 1 2 13) 18.391 0.2048 2.5736
37.001 2.4275 9.1 ( 2 0 18) 18.500 0.2060 2.5883
37.323 2.4073 1.1 ( 1 2 19) 18.662 0.2077 2.6101
37.436 2.4003 0.8 ( 2-1 15) 18.718 0.2083 2.6177
37.617 2.3891 1.6 ( 0-1 7) 18.809 0.2093 2.6299
37.617 2.3891 1.6 ( 2-2 8) 18.809 0.2093 2.6299
38.163 2.3563 14.1 ( 0 2 0) 19.081 0.2122 2.6666
38.242 2.3516 8.9 (-1 3 8) 19.121 0.2126 2.6719
38.242 2.3516 8.9 ( 2 0 8) 19.121 0.2126 2.6719
38.534 2.3344 16.7 ( 0 2 18) 19.267 0.2142 2.6916
38.681 2.3259 10.2 ( 1 2 11) 19.340 0.2150 2.7014
38.763 2.3211 9.9 (-2 2 0) 19.382 0.2154 2.7070
39.542 2.2772 0.8 ( 1 2 21) 19.771 0.2196 2.7592
39.871 2.2591 1.9 ( 0 3 13) 19.936 0.2213 2.7813
39.871 2.2591 1.9 ( 2-2 10) 19.936 0.2213 2.7813
40.020 2.2511 1.4 (-1 0 5) 20.010 0.2221 2.7912
40.230 2.2398 0.6 ( 0 3 15) 20.115 0.2232 2.8052
40.379 2.2319 0.5 ( 1-1 14) 20.189 0.2240 2.8152
40.769 2.2114 16.4 ( 2 1 19) 20.385 0.2261 2.8413
40.769 2.2114 16.4 ( 2 1 17) 20.385 0.2261 2.8413
40.867 2.2064 25.4 ( 0 1 17) 20.433 0.2266 2.8478
40.945 2.2023 24.1 ( 2-1 1) 20.473 0.2270 2.8530
40.945 2.2023 24.1 ( 2-1 17) 20.473 0.2270 2.8530
41.502 2.1741 14.6 ( 0 3 17) 20.751 0.2300 2.8901
41.502 2.1741 14.6 ( 1 0 19) 20.751 0.2300 2.8901
41.588 2.1698 8.5 (-1 3 12) 20.794 0.2304 2.8958
41.588 2.1698 8.5 ( 1 1 22) 20.794 0.2304 2.8958
42.621 2.1195 8.2 ( 1 1 0) 21.310 0.2359 2.9644
42.621 2.1195 8.2 ( 1 2 23) 21.310 0.2359 2.9644
42.964 2.1034 2.8 ( 2-2 12) 21.482 0.2377 2.9872
42.964 2.1034 2.8 ( 0-2 2) 21.482 0.2377 2.9872
43.403 2.0831 9.2 ( 0 2 20) 21.701 0.2400 3.0162
43.403 2.0831 9.2 (-1 3 0) 21.701 0.2400 3.0162
43.549 2.0765 5.2 ( 2 1 13) 21.774 0.2408 3.0259
43.901 2.0606 2.2 (-2 3 1) 21.951 0.2426 3.0491
43.901 2.0606 2.2 ( 2-3 1) 21.951 0.2426 3.0491
44.553 2.0320 0.1 (-1 3 14) 22.277 0.2461 3.0922
44.707 2.0254 0.1 ( 2-3 3) 22.353 0.2469 3.1023
44.707 2.0254 0.1 ( 0 3 7) 22.353 0.2469 3.1023
45.004 2.0127 0.2 ( 1 2 7) 22.502 0.2484 3.1218
45.004 2.0127 0.2 (-2 2 4) 22.502 0.2484 3.1218
45.204 2.0042 1.9 (-2 1 1) 22.602 0.2495 3.1350
45.370 1.9973 1.2 ( 2 0 4) 22.685 0.2503 3.1459
45.955 1.9732 0.5 (-1 0 7) 22.978 0.2534 3.1843
46.387 1.9558 0.1 ( 2 1 25) 23.194 0.2556 3.2126
46.387 1.9558 0.1 ( 1 2 25) 23.194 0.2556 3.2126
46.499 1.9514 0.1 ( 2-3 5) 23.249 0.2562 3.2199
46.765 1.9409 1.7 ( 2-2 14) 23.382 0.2576 3.2373
46.765 1.9409 1.7 ( 1-3 2) 23.382 0.2576 3.2373
47.658 1.9066 0.1 ( 2 0 24) 23.829 0.2622 3.2955
48.081 1.8908 0.9 (-1 2 15) 24.041 0.2644 3.3230
48.081 1.8908 0.9 (-1-1 2) 24.041 0.2644 3.3230
48.220 1.8857 0.5 (-1 3 16) 24.110 0.2652 3.3321
48.300 1.8827 0.4 ( 0-2 4) 24.150 0.2656 3.3373
48.744 1.8666 0.8 ( 1 3 20) 24.372 0.2679 3.3661
48.744 1.8666 0.8 ( 0 2 22) 24.372 0.2679 3.3661
49.077 1.8547 0.5 ( 1-2 11) 24.538 0.2696 3.3876
49.077 1.8547 0.5 ( 1 3 22) 24.538 0.2696 3.3876
49.150 1.8521 0.4 ( 1 2 5) 24.575 0.2700 3.3924
49.150 1.8521 0.4 (-2 2 6) 24.575 0.2700 3.3924
49.812 1.8291 2.2 ( 0 0 16) 24.906 0.2734 3.4352
49.812 1.8291 2.2 ( 2 0 2) 24.906 0.2734 3.4352
49.986 1.8231 1.4 ( 0-1 11) 24.993 0.2743 3.4464
49.986 1.8231 1.4 (-2 1 3) 24.993 0.2743 3.4464
50.606 1.8022 0.1 ( 3-2 11) 25.303 0.2774 3.4864
50.606 1.8022 0.1 ( 2 2 24) 25.303 0.2774 3.4864
50.768 1.7969 0.2 ( 1 2 27) 25.384 0.2783 3.4968
51.162 1.7839 5.7 ( 3-2 9) 25.581 0.2803 3.5221
51.162 1.7839 5.7 ( 2-2 16) 25.581 0.2803 3.5221
51.563 1.7710 0.6 (-1 4 9) 25.782 0.2823 3.5478
52.154 1.7523 0.4 (-1 0 9) 26.077 0.2853 3.5857
52.294 1.7480 0.8 ( 2 2 18) 26.147 0.2860 3.5946
52.294 1.7480 0.8 ( 2-3 9) 26.147 0.2860 3.5946
52.509 1.7413 1.2 (-1 3 18) 26.254 0.2871 3.6083
52.509 1.7413 1.2 ( 3 0 19) 26.254 0.2871 3.6083
52.649 1.7370 0.8 ( 1 1 26) 26.325 0.2879 3.6173
52.649 1.7370 0.8 (-1 4 15) 26.325 0.2879 3.6173
52.809 1.7321 0.8 (-1 4 7) 26.405 0.2887 3.6275
52.937 1.7282 0.6 ( 3-1 10) 26.468 0.2893 3.6356
53.391 1.7146 19.9 ( 3 0 17) 26.695 0.2916 3.6645
53.495 1.7115 11.7 ( 2 2 28) 26.747 0.2921 3.6711
53.495 1.7115 11.7 ( 3-1 22) 26.747 0.2921 3.6711
53.737 1.7044 25.7 (-1 2 17) 26.869 0.2934 3.6865
53.865 1.7006 36.0 ( 3-2 17) 26.932 0.2940 3.6946
53.865 1.7006 36.0 (-2 2 8) 26.932 0.2940 3.6946
53.979 1.6973 14.9 ( 0-2 6) 26.989 0.2946 3.7019
54.132 1.6929 4.8 ( 0 4 18) 27.066 0.2954 3.7116
54.429 1.6843 33.5 ( 0 4 16) 27.215 0.2969 3.7304
54.429 1.6843 33.5 ( 2 2 16) 27.215 0.2969 3.7304
54.582 1.6800 41.2 ( 3 0 25) 27.291 0.2976 3.7401
54.582 1.6800 41.2 (-1 4 17) 27.291 0.2976 3.7401
54.879 1.6716 22.1 (-2 4 2) 27.439 0.2991 3.7588
54.879 1.6716 22.1 ( 2 0 0) 27.439 0.2991 3.7588
55.041 1.6670 13.4 ( 2-1 23) 27.520 0.2999 3.7691
55.041 1.6670 13.4 ( 3 0 15) 27.520 0.2999 3.7691
55.561 1.6527 0.8 (-2 4 8) 27.780 0.3025 3.8018
55.561 1.6527 0.8 ( 0 4 14) 27.780 0.3025 3.8018
55.663 1.6499 0.9 ( 1 2 29) 27.831 0.3031 3.8083
55.808 1.6459 1.1 ( 0 4 22) 27.904 0.3038 3.8174
56.071 1.6388 13.8 ( 3-3 4) 28.035 0.3051 3.8339
56.071 1.6388 13.8 ( 2-2 18) 28.035 0.3051 3.8339
56.172 1.6361 27.9 (-2 4 0) 28.086 0.3056 3.8403
56.172 1.6361 27.9 ( 2-3 11) 28.086 0.3056 3.8403
56.328 1.6320 14.5 ( 3-1 24) 28.164 0.3064 3.8501
56.328 1.6320 14.5 ( 0 3 1) 28.164 0.3064 3.8501
56.559 1.6258 15.3 ( 0 0 18) 28.279 0.3075 3.8646
56.559 1.6258 15.3 (-2 3 11) 28.279 0.3075 3.8646
57.268 1.6074 0.8 (-1 3 20) 28.634 0.3111 3.9089
57.268 1.6074 0.8 ( 2 2 14) 28.634 0.3111 3.9089
57.415 1.6036 1.2 ( 3 0 13) 28.708 0.3118 3.9182
57.415 1.6036 1.2 ( 0 4 12) 28.708 0.3118 3.9182
57.531 1.6007 0.6 (-1 4 3) 28.765 0.3124 3.9253
57.531 1.6007 0.6 ( 3-3 2) 28.765 0.3124 3.9253
57.673 1.5970 0.3 ( 2 0 28) 28.837 0.3131 3.9342
57.767 1.5947 0.4 ( 0 4 24) 28.884 0.3135 3.9401
58.199 1.5839 0.5 ( 2 1 5) 29.099 0.3157 3.9670
58.199 1.5839 0.5 ( 2-4 2) 29.099 0.3157 3.9670
58.350 1.5801 0.3 ( 1 3 30) 29.175 0.3164 3.9763
58.616 1.5736 0.2 (-1 0 11) 29.308 0.3177 3.9929
58.616 1.5736 0.2 ( 3 1 24) 29.308 0.3177 3.9929
58.788 1.5694 0.1 ( 1 3 10) 29.394 0.3186 4.0036
58.788 1.5694 0.1 ( 1 1 28) 29.394 0.3186 4.0036
59.010 1.5640 0.1 (-2 2 10) 29.505 0.3197 4.0173
59.295 1.5572 0.3 ( 2 2 32) 29.648 0.3211 4.0350
59.295 1.5572 0.3 ( 0 3 27) 29.648 0.3211 4.0350
59.750 1.5464 1.0 ( 3 0 29) 29.875 0.3233 4.0631
59.750 1.5464 1.0 (-1 2 19) 29.875 0.3233 4.0631
59.946 1.5418 0.6 ( 0 4 10) 29.973 0.3243 4.0752
59.946 1.5418 0.6 (-2 4 12) 29.973 0.3243 4.0752
60.326 1.5330 3.0 (-2 0 2) 30.163 0.3262 4.0986
60.326 1.5330 3.0 ( 1 0 25) 30.163 0.3262 4.0986
60.462 1.5299 2.0 (-1 4 21) 30.231 0.3268 4.1069
60.462 1.5299 2.0 ( 3 0 11) 30.231 0.3268 4.1069
60.712 1.5242 0.5 ( 2 2 12) 30.356 0.3280 4.1223
60.712 1.5242 0.5 (-1 1 16) 30.356 0.3280 4.1223
60.871 1.5206 1.6 ( 1-2 15) 30.436 0.3288 4.1321
60.871 1.5206 1.6 (-1 4 1) 30.436 0.3288 4.1321
61.015 1.5173 1.3 (-2 3 13) 30.508 0.3295 4.1409
61.015 1.5173 1.3 ( 1 2 31) 30.508 0.3295 4.1409
61.202 1.5132 0.4 ( 3 1 30) 30.601 0.3304 4.1524
61.437 1.5079 0.2 ( 2-2 20) 30.719 0.3316 4.1668
62.660 1.4814 0.4 ( 2 3 29) 31.330 0.3375 4.2414
62.660 1.4814 0.4 ( 3 1 18) 31.330 0.3375 4.2414
63.138 1.4713 22.1 ( 3-4 3) 31.569 0.3398 4.2704
63.138 1.4713 22.1 ( 2 2 34) 31.569 0.3398 4.2704
63.308 1.4678 14.6 ( 2 0 30) 31.654 0.3406 4.2807
63.308 1.4678 14.6 ( 3-4 1) 31.654 0.3406 4.2807

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